2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine

C14H18N2 — CID 70856836

IUPAC2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C(/N=C/C2=CCCC=C2)CCC=C1
InChIInChI=1S/C14H18N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h3,5,7-9,11,15H,2,4,6,10H2,1H3/b16-11+
InChIKeyUXXALWVUWAKRGL-LFIBNONCSA-N
MW214.31 g/mol
LogP3.11
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine

2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 70856836) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID70856836
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C(/N=C/C2=CCCC=C2)CCC=C1
InChIInChI=1S/C14H18N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h3,5,7-9,11,15H,2,4,6,10H2,1H3/b16-11+
InChIKeyUXXALWVUWAKRGL-LFIBNONCSA-N
XLogP3.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-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 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine (CID 70856836) is 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine is CNC1=C(/N=C/C2=CCCC=C2)CCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is UXXALWVUWAKRGL-LFIBNONCSA-N. The full InChI is InChI=1S/C14H18N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h3,5,7-9,11,15H,2,4,6,10H2,1H3/b16-11+.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine?
2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70856836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).