3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol

C9H17NO — CID 129151615

IUPAC3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol
SMILESCC1CC(CN)=CC(O)C1C
InChIInChI=1S/C9H17NO/c1-6-3-8(5-10)4-9(11)7(6)2/h4,6-7,9,11H,3,5,10H2,1-2H3
InChIKeyHEDZOUWACMNSIN-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.91
Rot. Bonds1

About 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol

3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol (PubChem CID 129151615) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol
PubChem CID129151615
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol
SMILESCC1CC(CN)=CC(O)C1C
InChIInChI=1S/C9H17NO/c1-6-3-8(5-10)4-9(11)7(6)2/h4,6-7,9,11H,3,5,10H2,1-2H3
InChIKeyHEDZOUWACMNSIN-UHFFFAOYSA-N
XLogP0.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol (CID 129151615) is 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol is CC1CC(CN)=CC(O)C1C.
What is the InChIKey of 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol?
The InChIKey is HEDZOUWACMNSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-3-8(5-10)4-9(11)7(6)2/h4,6-7,9,11H,3,5,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol?
3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5,6-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 129151615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).