N-cyclohex-2-en-1-ylpropan-1-imine

C9H15N — CID 123986821

IUPACN-cyclohex-2-en-1-ylpropan-1-imine
SMILESCC/C=N/C1C=CCCC1
InChIInChI=1S/C9H15N/c1-2-8-10-9-6-4-3-5-7-9/h4,6,8-9H,2-3,5,7H2,1H3/b10-8+
InChIKeyOFUWMCQLEBHCMT-CSKARUKUSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds2

About N-cyclohex-2-en-1-ylpropan-1-imine

N-cyclohex-2-en-1-ylpropan-1-imine (PubChem CID 123986821) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylpropan-1-imine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylpropan-1-imine
PubChem CID123986821
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-cyclohex-2-en-1-ylpropan-1-imine
SMILESCC/C=N/C1C=CCCC1
InChIInChI=1S/C9H15N/c1-2-8-10-9-6-4-3-5-7-9/h4,6,8-9H,2-3,5,7H2,1H3/b10-8+
InChIKeyOFUWMCQLEBHCMT-CSKARUKUSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohex-2-en-1-ylpropan-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

2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
2-Vinyl-2,3,4,5-tetrahydropyridine
CID 67162088
2-Propyl-2,3-dihydropyridine
CID 68521817
3,5,6,8a-Tetrahydroquinoline
CID 90716025
2-Butyl-6-fluoro-2,5-dihydropyridine
CID 12754568
2-Butyl-6-fluoro-2,5-dihydro-5-methylpyridine
CID 12754572
N-(Cyclohex-2-en-1-yl)cyclohexanimine
CID 13272647
3-Ethyl-3,5,8,8a-tetrahydroquinoline
CID 53980454
2-Cyclobutyl-2,5-dihydropyridine
CID 54269617
3,5,8,8a-Tetrahydroquinoline
CID 54491121

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-ylpropan-1-imine?
The IUPAC name of N-cyclohex-2-en-1-ylpropan-1-imine (CID 123986821) is N-cyclohex-2-en-1-ylpropan-1-imine.
What is the SMILES notation for N-cyclohex-2-en-1-ylpropan-1-imine?
The canonical SMILES for N-cyclohex-2-en-1-ylpropan-1-imine is CC/C=N/C1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-ylpropan-1-imine?
The InChIKey is OFUWMCQLEBHCMT-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N/c1-2-8-10-9-6-4-3-5-7-9/h4,6,8-9H,2-3,5,7H2,1H3/b10-8+.
What are the key properties of N-cyclohex-2-en-1-ylpropan-1-imine?
N-cyclohex-2-en-1-ylpropan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylpropan-1-imine is sourced from PubChem (CID 123986821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).