5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol

C13H25NO — CID 62325453

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol
SMILESOCCCCCNCCC1=CCCCC1
InChIInChI=1S/C13H25NO/c15-12-6-2-5-10-14-11-9-13-7-3-1-4-8-13/h7,14-15H,1-6,8-12H2
InChIKeyNDYGJARWILRQBG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds8

About 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol

5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol (PubChem CID 62325453) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol
PubChem CID62325453
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol
SMILESOCCCCCNCCC1=CCCCC1
InChIInChI=1S/C13H25NO/c15-12-6-2-5-10-14-11-9-13-7-3-1-4-8-13/h7,14-15H,1-6,8-12H2
InChIKeyNDYGJARWILRQBG-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[2-(cyclohexen-1-yl)ethylamino]pentan-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 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol (CID 62325453) is 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol is OCCCCCNCCC1=CCCCC1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol?
The InChIKey is NDYGJARWILRQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c15-12-6-2-5-10-14-11-9-13-7-3-1-4-8-13/h7,14-15H,1-6,8-12H2.
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol?
5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 62325453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).