(1R)-N-methylcyclohexa-2,4-dien-1-amine

C7H11N — CID 89324380

IUPAC(1R)-N-methylcyclohexa-2,4-dien-1-amine
SMILESCN[C@H]1C=CC=CC1
InChIInChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3/t7-/m0/s1
InChIKeyABNDSIADBYDJEH-ZETCQYMHSA-N
MW109.17 g/mol
LogP1.09
Rot. Bonds1

About (1R)-N-methylcyclohexa-2,4-dien-1-amine

(1R)-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 89324380) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1R)-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID89324380
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1R)-N-methylcyclohexa-2,4-dien-1-amine
SMILESCN[C@H]1C=CC=CC1
InChIInChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3/t7-/m0/s1
InChIKeyABNDSIADBYDJEH-ZETCQYMHSA-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 (1R)-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 (1R)-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-N-methylcyclohexa-2,4-dien-1-amine (CID 89324380) is (1R)-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-N-methylcyclohexa-2,4-dien-1-amine is CN[C@H]1C=CC=CC1.
What is the InChIKey of (1R)-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is ABNDSIADBYDJEH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3/t7-/m0/s1.
What are the key properties of (1R)-N-methylcyclohexa-2,4-dien-1-amine?
(1R)-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 (1R)-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89324380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).