3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine

C24H30N2 — CID 70809744

IUPAC3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine
SMILESC1=CCCC(NC2C=CC(C3=CCCC(NC4C=CCCC4)=C3)=CC2)=C1
InChIInChI=1S/C24H30N2/c1-3-9-21(10-4-1)25-23-16-14-19(15-17-23)20-8-7-13-24(18-20)26-22-11-5-2-6-12-22/h1,3,5,8-9,11,14-16,18,22-23,25-26H,2,4,6-7,10,12-13,17H2
InChIKeyIEUSONVJSDOOSS-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.37
Rot. Bonds5

About 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine

3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine (PubChem CID 70809744) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine
PubChem CID70809744
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine
SMILESC1=CCCC(NC2C=CC(C3=CCCC(NC4C=CCCC4)=C3)=CC2)=C1
InChIInChI=1S/C24H30N2/c1-3-9-21(10-4-1)25-23-16-14-19(15-17-23)20-8-7-13-24(18-20)26-22-11-5-2-6-12-22/h1,3,5,8-9,11,14-16,18,22-23,25-26H,2,4,6-7,10,12-13,17H2
InChIKeyIEUSONVJSDOOSS-UHFFFAOYSA-N
XLogP5.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-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 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine (CID 70809744) is 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine is C1=CCCC(NC2C=CC(C3=CCCC(NC4C=CCCC4)=C3)=CC2)=C1.
What is the InChIKey of 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is IEUSONVJSDOOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-3-9-21(10-4-1)25-23-16-14-19(15-17-23)20-8-7-13-24(18-20)26-22-11-5-2-6-12-22/h1,3,5,8-9,11,14-16,18,22-23,25-26H,2,4,6-7,10,12-13,17H2.
What are the key properties of 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine?
3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 346.52 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexa-1,3-dien-1-ylamino)cyclohexa-1,5-dien-1-yl]-N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70809744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).