1-(cyclohex-2-en-1-ylamino)ethanol

C8H15NO — CID 142924703

IUPAC1-(cyclohex-2-en-1-ylamino)ethanol
SMILESCC(O)NC1C=CCCC1
InChIInChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h3,5,7-10H,2,4,6H2,1H3
InChIKeyAONLWSAHYVOCTE-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.02
Rot. Bonds2

About 1-(cyclohex-2-en-1-ylamino)ethanol

1-(cyclohex-2-en-1-ylamino)ethanol (PubChem CID 142924703) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylamino)ethanol
PubChem CID142924703
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(cyclohex-2-en-1-ylamino)ethanol
SMILESCC(O)NC1C=CCCC1
InChIInChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h3,5,7-10H,2,4,6H2,1H3
InChIKeyAONLWSAHYVOCTE-UHFFFAOYSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclohex-2-en-1-ylamino)ethanol 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-(cyclohex-2-en-1-ylamino)ethanol?
The IUPAC name of 1-(cyclohex-2-en-1-ylamino)ethanol (CID 142924703) is 1-(cyclohex-2-en-1-ylamino)ethanol.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylamino)ethanol?
The canonical SMILES for 1-(cyclohex-2-en-1-ylamino)ethanol is CC(O)NC1C=CCCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylamino)ethanol?
The InChIKey is AONLWSAHYVOCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h3,5,7-10H,2,4,6H2,1H3.
What are the key properties of 1-(cyclohex-2-en-1-ylamino)ethanol?
1-(cyclohex-2-en-1-ylamino)ethanol has a molecular weight of 141.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-ylamino)ethanol is sourced from PubChem (CID 142924703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).