(αR)-N-(1-Cyclopentylethylidene)-α-methylbenzenemethanamine - CAS 1312949-69-1
Catalog: |
BB068976 |
Product Name: |
(αR)-N-(1-Cyclopentylethylidene)-α-methylbenzenemethanamine |
CAS: |
1312949-69-1 |
Synonyms: |
1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanimine; (alphaR)-N-(1-Cyclopentylethylidene)-alpha-methylbenzenemethanamine; [1-Cyclopentyl-ethylidene]-((R)-1-phenyl-ethyl)-amine; (|AR)-N-(1-Cyclopentylethylidene)-|A-methylbenzenemethanamine |
IUPAC Name: | 1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanimine |
Description: | (αR)-N-(1-Cyclopentylethylidene)-α-methylbenzenemethanamine is used in the synthesis of pyridines as orexin receptor inhibitors . |
Molecular Weight: | 217.35 |
Molecular Formula: | C15H23N |
Canonical SMILES: | CC(C1=CC=CC=C1)N=C(C)C2CCCC2 |
InChI: | InChI=1S/C15H21N/c1-12(14-8-4-3-5-9-14)16-13(2)15-10-6-7-11-15/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3/t12-/m1/s1 |
InChI Key: | PBAJMFNXINMKGE-GFCCVEGCSA-N |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.167399674 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.167399674 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 12.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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