2-(adamantan-1-yl)acetonitrile

2-(adamantan-1-yl)acetonitrile

CAS: 16269-13-9

Formula: C12H17N

SMILES: N#CCC12CC3CC(CC(C3)C1)C2

IUPAC: 2-(adamantan-1-yl)acetonitrile

InChI: InChI=1S/C12H17N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1,3-8H2

Composition: C (82.23%), H (9.78%), N (7.99%)

Molar Mass: 175.275

Atom Count: 30

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	175.136099551
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DXQVPXCZIRQITG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.92
Topological Polar Surface Area	23.79
Polarizability	20.49
Ring Count	3
Rotatable Bond Count	1

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