N-methylcyclohexa-2,4-dien-1-amine

C7H11N — CID 18330347

IUPACN-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=CC1
InChIInChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3
InChIKeyABNDSIADBYDJEH-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.09
Rot. Bonds1

About N-methylcyclohexa-2,4-dien-1-amine

N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 18330347) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methylcyclohexa-2,4-dien-1-amine
PubChem CID18330347
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=CC1
InChIInChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3
InChIKeyABNDSIADBYDJEH-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methylcyclohexa-2,4-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 N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-methylcyclohexa-2,4-dien-1-amine (CID 18330347) is N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-methylcyclohexa-2,4-dien-1-amine is CNC1C=CC=CC1.
What is the InChIKey of N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is ABNDSIADBYDJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3.
What are the key properties of N-methylcyclohexa-2,4-dien-1-amine?
N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 18330347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).