1-aminobutan-1-ol

C4H11NO — CID 12598244

IUPAC1-aminobutan-1-ol
SMILESCCCC(N)O
InChIInChI=1S/C4H11NO/c1-2-3-4(5)6/h4,6H,2-3,5H2,1H3
InChIKeyOZHIYEINSCNALY-UHFFFAOYSA-N
MW89.14 g/mol
LogP0.06
Rot. Bonds2

About 1-aminobutan-1-ol

1-aminobutan-1-ol (PubChem CID 12598244) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is 1-aminobutan-1-ol.

Molecular Properties

Compound Name1-aminobutan-1-ol
PubChem CID12598244
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name1-aminobutan-1-ol
SMILESCCCC(N)O
InChIInChI=1S/C4H11NO/c1-2-3-4(5)6/h4,6H,2-3,5H2,1H3
InChIKeyOZHIYEINSCNALY-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminobutan-1-ol?
The IUPAC name of 1-aminobutan-1-ol (CID 12598244) is 1-aminobutan-1-ol.
What is the SMILES notation for 1-aminobutan-1-ol?
The canonical SMILES for 1-aminobutan-1-ol is CCCC(N)O.
What is the InChIKey of 1-aminobutan-1-ol?
The InChIKey is OZHIYEINSCNALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-2-3-4(5)6/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-aminobutan-1-ol?
1-aminobutan-1-ol has a molecular weight of 89.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutan-1-ol is sourced from PubChem (CID 12598244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).