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1-(1,3-Benzodioxol-5-yl)cyclopentanemethanamine

1-(1,3-Benzodioxol-5-yl)cyclopentanemethanamine - CAS 40691-79-0

Name: 1-(1,3-Benzodioxol-5-yl)cyclopentanemethanamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024622
Product Name:	1-(1,3-Benzodioxol-5-yl)cyclopentanemethanamine
CAS:	40691-79-0
Synonyms:	[1-(1,3-benzodioxol-5-yl)cyclopentyl]methanamine; [1-(1,3-benzodioxol-5-yl)cyclopentyl]methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	[1-(1,3-benzodioxol-5-yl)cyclopentyl]methanamine
Description:	1-(1,3-Benzodioxol-5-yl)cyclopentanemethanamine (CAS# 40691-79-0 ) is a useful research chemical.
Molecular Weight:	219.28
Molecular Formula:	C13H17NO2
Canonical SMILES:	C1CCC(C1)(CN)C2=CC3=C(C=C2)OCO3
InChI:	InChI=1S/C13H17NO2/c14-8-13(5-1-2-6-13)10-3-4-11-12(7-10)16-9-15-11/h3-4,7H,1-2,5-6,8-9,14H2
InChI Key:	SBSKIHXCZWXAHH-UHFFFAOYSA-N
LogP:	2.88610

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Related Functional Groups

Amines and Anilines

[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1550-50-1]C4H7F4N
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1431965-90-0]C9H16ClN3
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[6397-33-7]C9H13NS
2-(Isopropylthio)aniline
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

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Publication Number	Title	Priority Date
AU-2004279855-A1	Modulators of ATP-binding cassette transporters containing cycloalkyl or pyranyl groups	20031008
CA-2540978-A1	Modulators of atp-binding cassette transporters containing cycloalkyl or pyranyl groups	20031008
EP-1680411-A2	Modulators of atp-binding cassette transporters containing cycloalkyl or pyranyl groups	20031008
US-2005148648-A1	Modulators of ATP-binding cassette transporters	20031008
US-2010125090-A1	Modulators of ATP-Binding Cassette Transporters	20031008

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.125928785
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.125928785
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6