6-methylcyclohexa-1,2,3,5-tetraen-1-amine

C7H7N — CID 142222442

IUPAC6-methylcyclohexa-1,2,3,5-tetraen-1-amine
SMILESCC1=CC=C=C=C1N
InChIInChI=1S/C7H7N/c1-6-4-2-3-5-7(6)8/h2,4H,8H2,1H3
InChIKeyNKKPLWKYEIYHAJ-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.10
Rot. Bonds

About 6-methylcyclohexa-1,2,3,5-tetraen-1-amine

6-methylcyclohexa-1,2,3,5-tetraen-1-amine (PubChem CID 142222442) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 6-methylcyclohexa-1,2,3,5-tetraen-1-amine.

Molecular Properties

Compound Name6-methylcyclohexa-1,2,3,5-tetraen-1-amine
PubChem CID142222442
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name6-methylcyclohexa-1,2,3,5-tetraen-1-amine
SMILESCC1=CC=C=C=C1N
InChIInChI=1S/C7H7N/c1-6-4-2-3-5-7(6)8/h2,4H,8H2,1H3
InChIKeyNKKPLWKYEIYHAJ-UHFFFAOYSA-N
XLogP1.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-methylcyclohexa-1,2,3,5-tetraen-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 6-methylcyclohexa-1,2,3,5-tetraen-1-amine?
The IUPAC name of 6-methylcyclohexa-1,2,3,5-tetraen-1-amine (CID 142222442) is 6-methylcyclohexa-1,2,3,5-tetraen-1-amine.
What is the SMILES notation for 6-methylcyclohexa-1,2,3,5-tetraen-1-amine?
The canonical SMILES for 6-methylcyclohexa-1,2,3,5-tetraen-1-amine is CC1=CC=C=C=C1N.
What is the InChIKey of 6-methylcyclohexa-1,2,3,5-tetraen-1-amine?
The InChIKey is NKKPLWKYEIYHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-6-4-2-3-5-7(6)8/h2,4H,8H2,1H3.
What are the key properties of 6-methylcyclohexa-1,2,3,5-tetraen-1-amine?
6-methylcyclohexa-1,2,3,5-tetraen-1-amine has a molecular weight of 105.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylcyclohexa-1,2,3,5-tetraen-1-amine is sourced from PubChem (CID 142222442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).