3-(Cyclohexylamino)propanenitrile

C₉H₁₆N₂CAS 702-03-4152.24 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₉H₁₆N₂
Molar mass: 152.24 g/mol
Exact mass: 152.1313 Da
Boiling point: 149–151 °C (at 11 Torr)
logP: 1.82Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

702-03-4

SMILES

N#CCCNC1CCCCC1

InChIKey

OLUJYRYCQHJDKJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H16N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-6,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Propanenitrile, 3-(cyclohexylamino)-
Propionitrile, 3-(cyclohexylamino)-
N-(2-Cyanoethyl)cyclohexylamine
3-(Cyclohexylamino)propionitrile
N-(2-Cyanoethyl)-N-cyclohexylamine

Work with 3-(Cyclohexylamino)propanenitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Cyclohexylamino)ethanol2842-38-846 % similar N-Cyclohexyl-1,3-propanediamine3312-60-545 % similar Idpn (chemical)111-94-444 % similar Dodecanedinitrile4543-66-242 % similar Octanedinitrile629-40-342 % similar Pimelonitrile646-20-842 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-240 % similar 2-Piperidineethanol1484-84-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,8-Diazabicyclo(5.4.0)undec-7-ene6674-22-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook