4-amino-3-methylcyclohexa-1,5-dien-1-ol

C7H11NO — CID 129115171

IUPAC4-amino-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C=CC1N
InChIInChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-5,7,9H,8H2,1H3
InChIKeyNWVYJKIAZOFLKO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.96
Rot. Bonds

About 4-amino-3-methylcyclohexa-1,5-dien-1-ol

4-amino-3-methylcyclohexa-1,5-dien-1-ol (PubChem CID 129115171) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-amino-3-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-amino-3-methylcyclohexa-1,5-dien-1-ol
PubChem CID129115171
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-amino-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C=CC1N
InChIInChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-5,7,9H,8H2,1H3
InChIKeyNWVYJKIAZOFLKO-UHFFFAOYSA-N
XLogP0.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-3-methylcyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Fluoroamino)cyclohexa-1,5-dien-1-ol
CID 142075000
3-Amino-4,6-difluoro-4-methylcyclohexa-1,5-dien-1-ol
CID 164132712
2-Amino-5-Hydroxytoluidin
CID 129628067
(4R)-4-aminocyclohexa-1,5-dien-1-ol
CID 67126355
4-Amino-4-methylcyclohexa-1,5-dien-1-ol
CID 67750417
4-Aminocyclohexa-1,5-dien-1-ol
CID 68200165
2-(4-Aminocyclohexa-1,5-dien-1-yl)propan-2-ol
CID 89074029
(4R)-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 89234266
(3R)-3-aminocyclohexa-1,5-dien-1-ol
CID 89469321
4-(Methylamino)cyclohexa-1,5-dien-1-ol
CID 118369981
3-(1-Aminoethyl)-3-methylcyclohepta-1,4,6-trien-1-ol
CID 126660651
4-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 135251477

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-amino-3-methylcyclohexa-1,5-dien-1-ol (CID 129115171) is 4-amino-3-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-amino-3-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-amino-3-methylcyclohexa-1,5-dien-1-ol is CC1C=C(O)C=CC1N.
What is the InChIKey of 4-amino-3-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is NWVYJKIAZOFLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-5,7,9H,8H2,1H3.
What are the key properties of 4-amino-3-methylcyclohexa-1,5-dien-1-ol?
4-amino-3-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 129115171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).