4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol

C12H23NO — CID 21156619

IUPAC4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol
SMILESCCN(CCCCO)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-2-13(10-6-7-11-14)12-8-4-3-5-9-12/h8,14H,2-7,9-11H2,1H3
InChIKeyBFAAANDGMNXGRT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.54
Rot. Bonds6

About 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol

4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol (PubChem CID 21156619) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol
PubChem CID21156619
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol
SMILESCCN(CCCCO)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-2-13(10-6-7-11-14)12-8-4-3-5-9-12/h8,14H,2-7,9-11H2,1H3
InChIKeyBFAAANDGMNXGRT-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[cyclohexen-1-yl(ethyl)amino]butan-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 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol?
The IUPAC name of 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol (CID 21156619) is 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol.
What is the SMILES notation for 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol?
The canonical SMILES for 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol is CCN(CCCCO)C1=CCCCC1.
What is the InChIKey of 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol?
The InChIKey is BFAAANDGMNXGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-13(10-6-7-11-14)12-8-4-3-5-9-12/h8,14H,2-7,9-11H2,1H3.
What are the key properties of 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol?
4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexen-1-yl(ethyl)amino]butan-1-ol is sourced from PubChem (CID 21156619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).