(3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine

C24H37N — CID 145160524

IUPAC(3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine
SMILESC=C1/C=C(/C(=C)C)CC/C(C(C)(C)C)=C\C(C2CCC(C)(C)CC2)=N/1
InChIInChI=1S/C24H37N/c1-17(2)20-9-10-21(23(4,5)6)16-22(25-18(3)15-20)19-11-13-24(7,8)14-12-19/h15-16,19H,1,3,9-14H2,2,4-8H3/b20-15+,21-16+,25-22+
InChIKeyZZIKGMULFYOPTR-YTCFEEFMSA-N
MW339.57 g/mol
LogP7.43
Rot. Bonds2

About (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine

(3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine (PubChem CID 145160524) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine.

Molecular Properties

Compound Name(3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine
PubChem CID145160524
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name(3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine
SMILESC=C1/C=C(/C(=C)C)CC/C(C(C)(C)C)=C\C(C2CCC(C)(C)CC2)=N/1
InChIInChI=1S/C24H37N/c1-17(2)20-9-10-21(23(4,5)6)16-22(25-18(3)15-20)19-11-13-24(7,8)14-12-19/h15-16,19H,1,3,9-14H2,2,4-8H3/b20-15+,21-16+,25-22+
InChIKeyZZIKGMULFYOPTR-YTCFEEFMSA-N
XLogP7.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine 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

1-(1-ethylcyclohexyl)-N-[(3Z,6E,8Z,10Z)-5-ethylidene-2-fluoro-7-methyldodeca-1,3,6,8,10-pentaen-6-yl]ethanimine
CID 143722128
Spiro[carbazole-2,1'-cyclohexane]
CID 21886814
3-cyclohexyl-2-methyl-6H-indole
CID 69721405
2-Methylidene-4-pentyl-4,5,6,7-tetrahydroindole
CID 70432920
3-ethyl-11-methyl-2-[(1Z)-3-methylpenta-1,3-dienyl]-4,5,6,7,8,10,11,12-octahydro-1-benzazecine
CID 90738048
3,3-Dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole
CID 123267246
4-Hepta-2,4-dien-4-yl-2-hept-1-en-2-yl-6-pent-4-enyl-3,4-dihydropyridine
CID 123287010
N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine
CID 123400833
4,5,6-triethyl-2-[(1E)-hexa-1,4-dienyl]-3,3-dimethyl-5,6-dihydroindole
CID 123514591
N-[(2Z,4E)-4-methyl-6-(4-methyl-1-bicyclo[2.2.2]octanyl)hepta-2,4,6-trien-2-yl]butan-2-imine
CID 129066496
3-Methyl-7-methylidene-2-(2-methyl-1-prop-1-en-2-yl-4-propylcyclohexa-2,4-dien-1-yl)-3,4,5,6-tetrahydroazepine
CID 130217036
(3E,5Z)-3-but-1-en-2-yl-N-[(Z)-1-(3,3,5,5-tetramethylcyclohexyl)prop-1-enyl]hepta-3,5-dien-2-imine
CID 134286898

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine?
The IUPAC name of (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine (CID 145160524) is (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine.
What is the SMILES notation for (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine?
The canonical SMILES for (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine is C=C1/C=C(/C(=C)C)CC/C(C(C)(C)C)=C\C(C2CCC(C)(C)CC2)=N/1.
What is the InChIKey of (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine?
The InChIKey is ZZIKGMULFYOPTR-YTCFEEFMSA-N. The full InChI is InChI=1S/C24H37N/c1-17(2)20-9-10-21(23(4,5)6)16-22(25-18(3)15-20)19-11-13-24(7,8)14-12-19/h15-16,19H,1,3,9-14H2,2,4-8H3/b20-15+,21-16+,25-22+.
What are the key properties of (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine?
(3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine has a molecular weight of 339.57 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine is sourced from PubChem (CID 145160524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).