2-(azepan-1-yl)-2-phenylacetonitrile

2-(azepan-1-yl)-2-phenylacetonitrile

CAS: 17766-41-5

Formula: C14H18N2

SMILES: N#CC(N1CCCCCC1)C1=CC=CC=C1

IUPAC: 2-(azepan-1-yl)-2-phenylacetonitrile

InChI: InChI=1/C14H18N2/c15-12-14(13-8-4-3-5-9-13)16-10-6-1-2-7-11-16/h3-5,8-9,14H,1-2,6-7,10-11H2

Composition: C (78.46%), H (8.47%), N (13.07%)

Molar Mass: 214.312

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	214.146998588
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MDTVIWLDOORMEX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.15
Topological Polar Surface Area	27.03
Polarizability	25.72
Ring Count	2
Rotatable Bond Count	2

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