3-methyl-3,6-diazabicyclo[3.1.1]heptane - CAS 1059700-16-1

Catalog:	BB001746
Product Name:	3-methyl-3,6-diazabicyclo[3.1.1]heptane
CAS:	1059700-16-1
Synonyms:	3-methyl-3,6-diazabicyclo[3.1.1]heptane; 3-methyl-3,6-diazabicyclo[3.1.1]heptane

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methyl-3,6-diazabicyclo[3.1.1]heptane
Description:	3-methyl-3,6-diazabicyclo[3.1.1]heptane (CAS# 1059700-16-1 ) is a useful research chemical.
Molecular Weight:	112.176
Molecular Formula:	C6H12N2
Canonical SMILES:	CN1CC2CC(C1)N2
InChI:	InChI=1S/C6H12N2/c1-8-3-5-2-6(4-8)7-5/h5-7H,2-4H2,1H3
InChI Key:	PWOVIVDQSUNZNN-UHFFFAOYSA-N

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Related Functional Groups

Bridged Compounds

[281-27-6]
1-Azaadamantane
[796963-34-3]
3-Methylbicyclo[1.1.1]pentan-1-amine hydrochloride
[75667-94-6]
2-(3-Aminoadamantan-1-yl)acetic acid hydrochloride
[2096992-16-2]
2-(3-Aminobicyclo[1.1.1]pentan-1-yl)acetic acid hydrochloride
[1004944-60-8]
2-[3-(4-Nitropyrazolyl)adamantanyl]acetic acid
[727416-54-8]
1-(3-Bromo-adamantan-1-yl)-propan-2-one

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Complexity:	92.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.100048391
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.100048391
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1