2-amino-2-cyclohex-3-en-1-ylethanol

C8H15NO — CID 61056225

IUPAC2-amino-2-cyclohex-3-en-1-ylethanol
SMILESNC(CO)C1CC=CCC1
InChIInChI=1S/C8H15NO/c9-8(6-10)7-4-2-1-3-5-7/h1-2,7-8,10H,3-6,9H2
InChIKeyPLEQQOSWTPGIBG-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.66
Rot. Bonds2

About 2-amino-2-cyclohex-3-en-1-ylethanol

2-amino-2-cyclohex-3-en-1-ylethanol (PubChem CID 61056225) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-amino-2-cyclohex-3-en-1-ylethanol.

Molecular Properties

Compound Name2-amino-2-cyclohex-3-en-1-ylethanol
PubChem CID61056225
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-amino-2-cyclohex-3-en-1-ylethanol
SMILESNC(CO)C1CC=CCC1
InChIInChI=1S/C8H15NO/c9-8(6-10)7-4-2-1-3-5-7/h1-2,7-8,10H,3-6,9H2
InChIKeyPLEQQOSWTPGIBG-UHFFFAOYSA-N
XLogP0.66
TPSA46.25 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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-2-cyclohex-3-en-1-ylethanol 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 2-amino-2-cyclohex-3-en-1-ylethanol?
The IUPAC name of 2-amino-2-cyclohex-3-en-1-ylethanol (CID 61056225) is 2-amino-2-cyclohex-3-en-1-ylethanol.
What is the SMILES notation for 2-amino-2-cyclohex-3-en-1-ylethanol?
The canonical SMILES for 2-amino-2-cyclohex-3-en-1-ylethanol is NC(CO)C1CC=CCC1.
What is the InChIKey of 2-amino-2-cyclohex-3-en-1-ylethanol?
The InChIKey is PLEQQOSWTPGIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-8(6-10)7-4-2-1-3-5-7/h1-2,7-8,10H,3-6,9H2.
What are the key properties of 2-amino-2-cyclohex-3-en-1-ylethanol?
2-amino-2-cyclohex-3-en-1-ylethanol has a molecular weight of 141.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohex-3-en-1-ylethanol is sourced from PubChem (CID 61056225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).