4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine

C20H30N2 — CID 71234790

IUPAC4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
SMILESCC1C(C2(C)CC=CCC2)=C(N)CCC1C1=C(N)C=CCC1
InChIInChI=1S/C20H30N2/c1-14-15(16-8-4-5-9-17(16)21)10-11-18(22)19(14)20(2)12-6-3-7-13-20/h3,5-6,9,14-15H,4,7-8,10-13,21-22H2,1-2H3
InChIKeyOWHSOPXQGFYCJV-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.55
Rot. Bonds2

About 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine

4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine (PubChem CID 71234790) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine.

Molecular Properties

Compound Name4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
PubChem CID71234790
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
SMILESCC1C(C2(C)CC=CCC2)=C(N)CCC1C1=C(N)C=CCC1
InChIInChI=1S/C20H30N2/c1-14-15(16-8-4-5-9-17(16)21)10-11-18(22)19(14)20(2)12-6-3-7-13-20/h3,5-6,9,14-15H,4,7-8,10-13,21-22H2,1-2H3
InChIKeyOWHSOPXQGFYCJV-UHFFFAOYSA-N
XLogP4.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine?
The IUPAC name of 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine (CID 71234790) is 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine.
What is the SMILES notation for 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine?
The canonical SMILES for 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine is CC1C(C2(C)CC=CCC2)=C(N)CCC1C1=C(N)C=CCC1.
What is the InChIKey of 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine?
The InChIKey is OWHSOPXQGFYCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-14-15(16-8-4-5-9-17(16)21)10-11-18(22)19(14)20(2)12-6-3-7-13-20/h3,5-6,9,14-15H,4,7-8,10-13,21-22H2,1-2H3.
What are the key properties of 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine?
4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine has a molecular weight of 298.47 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclohexa-1,3-dien-1-yl)-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine is sourced from PubChem (CID 71234790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).