1-amino-2-(cyclohexen-1-yl)propan-2-ol

C9H17NO — CID 106651475

IUPAC1-amino-2-(cyclohexen-1-yl)propan-2-ol
SMILESCC(O)(CN)C1=CCCCC1
InChIInChI=1S/C9H17NO/c1-9(11,7-10)8-5-3-2-4-6-8/h5,11H,2-4,6-7,10H2,1H3
InChIKeyAVVVFCPCKCSJGS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.20
Rot. Bonds2

About 1-amino-2-(cyclohexen-1-yl)propan-2-ol

1-amino-2-(cyclohexen-1-yl)propan-2-ol (PubChem CID 106651475) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-amino-2-(cyclohexen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(cyclohexen-1-yl)propan-2-ol
PubChem CID106651475
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-amino-2-(cyclohexen-1-yl)propan-2-ol
SMILESCC(O)(CN)C1=CCCCC1
InChIInChI=1S/C9H17NO/c1-9(11,7-10)8-5-3-2-4-6-8/h5,11H,2-4,6-7,10H2,1H3
InChIKeyAVVVFCPCKCSJGS-UHFFFAOYSA-N
XLogP1.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-2-(cyclohexen-1-yl)propan-2-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 1-amino-2-(cyclohexen-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(cyclohexen-1-yl)propan-2-ol (CID 106651475) is 1-amino-2-(cyclohexen-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(cyclohexen-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(cyclohexen-1-yl)propan-2-ol is CC(O)(CN)C1=CCCCC1.
What is the InChIKey of 1-amino-2-(cyclohexen-1-yl)propan-2-ol?
The InChIKey is AVVVFCPCKCSJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(11,7-10)8-5-3-2-4-6-8/h5,11H,2-4,6-7,10H2,1H3.
What are the key properties of 1-amino-2-(cyclohexen-1-yl)propan-2-ol?
1-amino-2-(cyclohexen-1-yl)propan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(cyclohexen-1-yl)propan-2-ol is sourced from PubChem (CID 106651475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).