4-ethylcyclohept-2-en-1-imine

C9H15N — CID 123193620

IUPAC4-ethylcyclohept-2-en-1-imine
SMILES[H]/N=C1/C=CC(CC)CCC1
InChIInChI=1S/C9H15N/c1-2-8-4-3-5-9(10)7-6-8/h6-8,10H,2-5H2,1H3/b10-9+
InChIKeyAEORCJVIEJOGGO-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.77
Rot. Bonds1

About 4-ethylcyclohept-2-en-1-imine

4-ethylcyclohept-2-en-1-imine (PubChem CID 123193620) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-ethylcyclohept-2-en-1-imine.

Molecular Properties

Compound Name4-ethylcyclohept-2-en-1-imine
PubChem CID123193620
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-ethylcyclohept-2-en-1-imine
SMILES[H]/N=C1/C=CC(CC)CCC1
InChIInChI=1S/C9H15N/c1-2-8-4-3-5-9(10)7-6-8/h6-8,10H,2-5H2,1H3/b10-9+
InChIKeyAEORCJVIEJOGGO-MDZDMXLPSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethylcyclohept-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

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
1-Cyclohexyl-imino-2-butene
CID 129765474
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
6-Methylcyclohex-2-en-1-imine
CID 86188349
5-Methylcyclohex-2-en-1-imine
CID 86188350
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106

Frequently Asked Questions

What is the IUPAC name of 4-ethylcyclohept-2-en-1-imine?
The IUPAC name of 4-ethylcyclohept-2-en-1-imine (CID 123193620) is 4-ethylcyclohept-2-en-1-imine.
What is the SMILES notation for 4-ethylcyclohept-2-en-1-imine?
The canonical SMILES for 4-ethylcyclohept-2-en-1-imine is [H]/N=C1/C=CC(CC)CCC1.
What is the InChIKey of 4-ethylcyclohept-2-en-1-imine?
The InChIKey is AEORCJVIEJOGGO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-2-8-4-3-5-9(10)7-6-8/h6-8,10H,2-5H2,1H3/b10-9+.
What are the key properties of 4-ethylcyclohept-2-en-1-imine?
4-ethylcyclohept-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcyclohept-2-en-1-imine is sourced from PubChem (CID 123193620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).