(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine

C12H21N — CID 127262357

IUPAC(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
SMILESC/C=C(/C=N/C1CCCCC1)CC
InChIInChI=1S/C12H21N/c1-3-11(4-2)10-13-12-8-6-5-7-9-12/h3,10,12H,4-9H2,1-2H3/b11-3+,13-10+
InChIKeyVSQSJJKAADDAGW-WJYZNUQFSA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds3

About (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine

(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine (PubChem CID 127262357) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
PubChem CID127262357
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
SMILESC/C=C(/C=N/C1CCCCC1)CC
InChIInChI=1S/C12H21N/c1-3-11(4-2)10-13-12-8-6-5-7-9-12/h3,10,12H,4-9H2,1-2H3/b11-3+,13-10+
InChIKeyVSQSJJKAADDAGW-WJYZNUQFSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-cyclohexylideneethanimine
CID 85777573
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
copper(1+);N-cyclohexyl-1-phenylmethanimine
CID 135046006
N-cyclohexyl-6-methylhept-5-en-2-imine
CID 11009116
N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 18293350
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
2,3-Diethyl-2,5-dihydropyridine
CID 57226784
N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 74047303
N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine
CID 85299666
N-butan-2-yl-2-methylpent-2-en-1-imine
CID 85381401
4-Ethyl-2-methyl-2,3-dihydropyridine
CID 89150349
5-Propan-2-yl-2-propyl-2,3-dihydropyridine
CID 89592567

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine?
The IUPAC name of (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine (CID 127262357) is (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine?
The canonical SMILES for (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine is C/C=C(/C=N/C1CCCCC1)CC.
What is the InChIKey of (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine?
The InChIKey is VSQSJJKAADDAGW-WJYZNUQFSA-N. The full InChI is InChI=1S/C12H21N/c1-3-11(4-2)10-13-12-8-6-5-7-9-12/h3,10,12H,4-9H2,1-2H3/b11-3+,13-10+.
What are the key properties of (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine?
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-2-ethylbut-2-en-1-imine is sourced from PubChem (CID 127262357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).