chempirical

1-Cyclohexene-1-ethanamine

C8H15NCAS 3399-73-3125.21 g/mol

Open in Covalent MOL file
H2N
AlkenePrimary amine

Properties

Molecular formula
C8H15N
Molar mass
125.21 g/mol
Exact mass
125.1204 Da
Boiling point
75–76 °C (at 10 Torr)
logP
1.84Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
3399-73-3
SMILES
NCCC1=CCCCC1
InChIKey
IUDMXOOVKMKODN-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2

Weigh it out

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

Names and synonyms

10 names
  • 1-Cyclohexene-1-ethylamine
  • 1-Cyclohexen-1-ylethylamine
  • 2-(1-Cyclohexenyl)ethylamine
  • 2-(1-Cyclohexen-1-yl)ethylamine
  • 2-(1-Cyclohexenyl)ethanamine
  • NSC 26453
  • 1-(2-Aminoethyl)cyclohexene
  • Cyclohexenylethylamine
  • 2-(Cyclohex-1-en-1-yl)ethanamine
  • 2-(Cyclohex-1-en-1-yl)ethan-1-amine

Work with 1-Cyclohexene-1-ethanamine

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

1-Cyclohexene-1-acetonitrile6975-71-946 % similar 1-Cyclohexene-1-acetic acid18294-87-642 % similar 1-Cyclopentene-1-acetonitrile22734-04-938 % similar Methylcyclohexene591-49-137 % similar 1-Chlorocyclohexene930-66-537 % similar 1-Cyclohexene-1-carboxaldehyde1192-88-734 % similar 1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-133 % similar 1-Cyclohexene-1-carbonitrile1855-63-633 % similar

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

Same formula

Octanenitrile124-12-9 Piperidine, 2-(2-propenyl)-, (S)- (9ci)133294-33-4 Rel-(3aR,7aS)-Octahydro-1H-isoindole1470-99-1 Octahydroisoindole21850-12-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook