tert-butyl N-(1-cyanocyclohexyl)carbamate

tert-butyl N-(1-cyanocyclohexyl)carbamate

CAS: 904816-62-2

Formula: C12H20N2O2

SMILES: CC(C)(C)OC(=O)NC1(CCCCC1)C#N

IUPAC: tert-butyl N-(1-cyanocyclohexyl)carbamate

InChI: InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-12(9-13)7-5-4-6-8-12/h4-8H2,1-3H3,(H,14,15)

Composition: C (64.26%), H (8.99%), N (12.49%), O (14.27%)

Molar Mass: 224.304

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	224.152477892
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FHEWQQKIHCOSKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.91
Topological Polar Surface Area	62.12
Polarizability	23.86
Ring Count	1
Rotatable Bond Count	3

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