1-aminobutan-2-ol

C4H11NO — CID 26107

IUPAC1-aminobutan-2-ol
SMILESCCC(O)CN
InChIInChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKeyKODLUXHSIZOKTG-UHFFFAOYSA-N
MW89.14 g/mol
LogP-0.28
Rot. Bonds2

About 1-aminobutan-2-ol

1-aminobutan-2-ol (PubChem CID 26107) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is 1-aminobutan-2-ol.

Molecular Properties

Compound Name1-aminobutan-2-ol
PubChem CID26107
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name1-aminobutan-2-ol
SMILESCCC(O)CN
InChIInChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKeyKODLUXHSIZOKTG-UHFFFAOYSA-N
XLogP-0.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-aminobutan-2-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 1-aminobutan-2-ol?
The IUPAC name of 1-aminobutan-2-ol (CID 26107) is 1-aminobutan-2-ol.
What is the SMILES notation for 1-aminobutan-2-ol?
The canonical SMILES for 1-aminobutan-2-ol is CCC(O)CN.
What is the InChIKey of 1-aminobutan-2-ol?
The InChIKey is KODLUXHSIZOKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-aminobutan-2-ol?
1-aminobutan-2-ol has a molecular weight of 89.14 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutan-2-ol is sourced from PubChem (CID 26107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).