1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine

C17H27N — CID 91385250

IUPAC1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine
SMILES[H]/N=C(\C)C1=CC(CC)C(C2C=CCCC2C)CC1
InChIInChI=1S/C17H27N/c1-4-14-11-15(13(3)18)9-10-17(14)16-8-6-5-7-12(16)2/h6,8,11-12,14,16-18H,4-5,7,9-10H2,1-3H3/b18-13+
InChIKeyWWUUSSCJAHILKP-QGOAFFKASA-N
MW245.41 g/mol
LogP4.99
Rot. Bonds3

About 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine

1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine (PubChem CID 91385250) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine.

Molecular Properties

Compound Name1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine
PubChem CID91385250
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine
SMILES[H]/N=C(\C)C1=CC(CC)C(C2C=CCCC2C)CC1
InChIInChI=1S/C17H27N/c1-4-14-11-15(13(3)18)9-10-17(14)16-8-6-5-7-12(16)2/h6,8,11-12,14,16-18H,4-5,7,9-10H2,1-3H3/b18-13+
InChIKeyWWUUSSCJAHILKP-QGOAFFKASA-N
XLogP4.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine 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
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
3-Fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
CID 123916073
3-(4-Heptan-3-ylcyclohex-2-en-1-yl)-1-(2,3,4,5,6-pentafluorocyclohexyl)butan-2-imine
CID 144314829
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
1-Cyclohexyl-imino-2-butene
CID 129765474
6-(2-Iminocyclohexyl)cyclohexa-2,4-dien-1-imine
CID 134859228
(6Z,8Z)-10-ethyl-2-fluoro-4,6-dimethyl-10,10a-dihydro-1H-benzo[8]annulen-5-imine
CID 142313968
4-[(3E,7E)-7-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]nona-3,7-dien-2-yl]cyclohex-3-en-1-imine
CID 162546879
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine?
The IUPAC name of 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine (CID 91385250) is 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine.
What is the SMILES notation for 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine?
The canonical SMILES for 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine is [H]/N=C(\C)C1=CC(CC)C(C2C=CCCC2C)CC1.
What is the InChIKey of 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine?
The InChIKey is WWUUSSCJAHILKP-QGOAFFKASA-N. The full InChI is InChI=1S/C17H27N/c1-4-14-11-15(13(3)18)9-10-17(14)16-8-6-5-7-12(16)2/h6,8,11-12,14,16-18H,4-5,7,9-10H2,1-3H3/b18-13+.
What are the key properties of 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine?
1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine has a molecular weight of 245.41 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine is sourced from PubChem (CID 91385250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).