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

C10H19NO — CID 106651478

IUPAC1-amino-2-(cyclohexen-1-yl)butan-2-ol
SMILESCCC(O)(CN)C1=CCCCC1
InChIInChI=1S/C10H19NO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h6,12H,2-5,7-8,11H2,1H3
InChIKeyTWPWLNSXOXAWTJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.59
Rot. Bonds3

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

1-amino-2-(cyclohexen-1-yl)butan-2-ol (PubChem CID 106651478) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-amino-2-(cyclohexen-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-(cyclohexen-1-yl)butan-2-ol
PubChem CID106651478
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-amino-2-(cyclohexen-1-yl)butan-2-ol
SMILESCCC(O)(CN)C1=CCCCC1
InChIInChI=1S/C10H19NO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h6,12H,2-5,7-8,11H2,1H3
InChIKeyTWPWLNSXOXAWTJ-UHFFFAOYSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(cyclohexen-1-yl)butan-2-ol?
The IUPAC name of 1-amino-2-(cyclohexen-1-yl)butan-2-ol (CID 106651478) is 1-amino-2-(cyclohexen-1-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-(cyclohexen-1-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-(cyclohexen-1-yl)butan-2-ol is CCC(O)(CN)C1=CCCCC1.
What is the InChIKey of 1-amino-2-(cyclohexen-1-yl)butan-2-ol?
The InChIKey is TWPWLNSXOXAWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h6,12H,2-5,7-8,11H2,1H3.
What are the key properties of 1-amino-2-(cyclohexen-1-yl)butan-2-ol?
1-amino-2-(cyclohexen-1-yl)butan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.59, 3 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)butan-2-ol is sourced from PubChem (CID 106651478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).