3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine

C18H27N — CID 58587129

IUPAC3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
SMILES[H]/N=C1\CC(C2=CCCCC2)CC2(C)C1=CCCC2C
InChIInChI=1S/C18H27N/c1-13-7-6-10-16-17(19)11-15(12-18(13,16)2)14-8-4-3-5-9-14/h8,10,13,15,19H,3-7,9,11-12H2,1-2H3/b19-17+
InChIKeyNBJJSZBRXSIKKN-HTXNQAPBSA-N
MW257.42 g/mol
LogP5.28
Rot. Bonds1

About 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine

3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine (PubChem CID 58587129) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
PubChem CID58587129
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
SMILES[H]/N=C1\CC(C2=CCCCC2)CC2(C)C1=CCCC2C
InChIInChI=1S/C18H27N/c1-13-7-6-10-16-17(19)11-15(12-18(13,16)2)14-8-4-3-5-9-14/h8,10,13,15,19H,3-7,9,11-12H2,1-2H3/b19-17+
InChIKeyNBJJSZBRXSIKKN-HTXNQAPBSA-N
XLogP5.28
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.28
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 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-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

(4aR,7R)-8-(2-fluorobutyl)-4a,7,10-trimethyl-3,4,4b,5,6,7,8,8a,9,10-decahydrophenanthren-2-imine
CID 68058013
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine
CID 58587062
5-(Chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587093
N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587127
4a,5-Dimethyl-3-(3-methylbut-2-en-2-yl)-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587135
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 59842303
(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine
CID 89050075
(9R,10R,13S,14S)-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-imine
CID 90783184
1-[3-Ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine
CID 91385250
4-(2,2,3,4-Tetramethylpentyl)cyclohex-2-en-1-imine
CID 91445250

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The IUPAC name of 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine (CID 58587129) is 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The canonical SMILES for 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine is [H]/N=C1\CC(C2=CCCCC2)CC2(C)C1=CCCC2C.
What is the InChIKey of 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The InChIKey is NBJJSZBRXSIKKN-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H27N/c1-13-7-6-10-16-17(19)11-15(12-18(13,16)2)14-8-4-3-5-9-14/h8,10,13,15,19H,3-7,9,11-12H2,1-2H3/b19-17+.
What are the key properties of 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine has a molecular weight of 257.42 g/mol, XLogP of 5.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine is sourced from PubChem (CID 58587129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).