2-(benzylamino)-2-(oxan-4-yl)acetonitrile

2-(benzylamino)-2-(oxan-4-yl)acetonitrile

CAS: 1274825-09-0

Formula: C14H18N2O

SMILES: N#CC(NCC1=CC=CC=C1)C1CCOCC1

IUPAC: 2-(benzylamino)-2-(oxan-4-yl)acetonitrile

InChI: InChI=1/C14H18N2O/c15-10-14(13-6-8-17-9-7-13)16-11-12-4-2-1-3-5-12/h1-5,13-14,16H,6-9,11H2

Composition: C (73.01%), H (7.88%), N (12.16%), O (6.95%)

Molar Mass: 230.311

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	230.141913208
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RFRMCLSXWSTZKD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.41
Topological Polar Surface Area	45.05
Polarizability	26.39
Ring Count	2
Rotatable Bond Count	4

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