N-(cyclohexen-1-yl)ethanimine

C8H13N — CID 91406675

IUPACN-(cyclohexen-1-yl)ethanimine
SMILESC/C=N/C1=CCCCC1
InChIInChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h2,6H,3-5,7H2,1H3/b9-2+
InChIKeyZIQTVAIHRYSWKH-XNWCZRBMSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds1

About N-(cyclohexen-1-yl)ethanimine

N-(cyclohexen-1-yl)ethanimine (PubChem CID 91406675) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)ethanimine.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)ethanimine
PubChem CID91406675
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(cyclohexen-1-yl)ethanimine
SMILESC/C=N/C1=CCCCC1
InChIInChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h2,6H,3-5,7H2,1H3/b9-2+
InChIKeyZIQTVAIHRYSWKH-XNWCZRBMSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylidene-3,4,5,6-tetrahydro-2h-azepine
CID 129873673
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
N-(cyclohexen-1-yl)methanimine
CID 15266321
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
7-ethyl-4,5-dihydro-3H-azepine
CID 57035452
6-Butyl-3,4-dihydropyridine
CID 57232756
3-Methyl-6-octyl-3,4-dihydropyridine
CID 71148391
N-[(Z)-hex-2-en-3-yl]ethanimine
CID 88983405
6-Propyl-3,4-dihydropyridine
CID 89142722
N-[(E)-hept-3-en-3-yl]ethanimine
CID 91120410
N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine
CID 91329113

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)ethanimine?
The IUPAC name of N-(cyclohexen-1-yl)ethanimine (CID 91406675) is N-(cyclohexen-1-yl)ethanimine.
What is the SMILES notation for N-(cyclohexen-1-yl)ethanimine?
The canonical SMILES for N-(cyclohexen-1-yl)ethanimine is C/C=N/C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)ethanimine?
The InChIKey is ZIQTVAIHRYSWKH-XNWCZRBMSA-N. The full InChI is InChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h2,6H,3-5,7H2,1H3/b9-2+.
What are the key properties of N-(cyclohexen-1-yl)ethanimine?
N-(cyclohexen-1-yl)ethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)ethanimine is sourced from PubChem (CID 91406675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).