6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol

C9H15NO — CID 70419112

IUPAC6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(CN)C(C)(O)C=C1
InChIInChI=1S/C9H15NO/c1-7-3-4-9(2,11)8(5-7)6-10/h3-5,8,11H,6,10H2,1-2H3
InChIKeyGBLOGVICBKCMQE-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.83
Rot. Bonds1

About 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol

6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 70419112) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID70419112
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(CN)C(C)(O)C=C1
InChIInChI=1S/C9H15NO/c1-7-3-4-9(2,11)8(5-7)6-10/h3-5,8,11H,6,10H2,1-2H3
InChIKeyGBLOGVICBKCMQE-UHFFFAOYSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-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-Fluorotyramine
CID 129695352
p-Hydroxytyramin
CID 67024421
5-(Aminomethyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 68132702
4-(2-Aminoethyl)-1,6-dimethylcyclohexa-2,4-diene-1,2-diol
CID 69919969
1-(Aminomethyl)cyclohexa-2,4-dien-1-ol
CID 70486178
5-Amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol
CID 70582569
2-(4-Aminocyclohexa-1,5-dien-1-yl)propan-2-ol
CID 89074029
3-(2-Aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol
CID 118146993
4-(Aminomethyl)-6-methylcyclohexa-1,5-dien-1-ol
CID 143064786
5-Amino-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 145803988
1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol
CID 146308260
6-Amino-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 152083496

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol (CID 70419112) is 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC(CN)C(C)(O)C=C1.
What is the InChIKey of 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is GBLOGVICBKCMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-3-4-9(2,11)8(5-7)6-10/h3-5,8,11H,6,10H2,1-2H3.
What are the key properties of 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol?
6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70419112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).