1-(butylamino)ethanol

C6H15NO — CID 18004265

IUPAC1-(butylamino)ethanol
SMILESCCCCNC(C)O
InChIInChI=1S/C6H15NO/c1-3-4-5-7-6(2)8/h6-8H,3-5H2,1-2H3
InChIKeyZUYWFUUNQDJUKG-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.71
Rot. Bonds4

About 1-(butylamino)ethanol

1-(butylamino)ethanol (PubChem CID 18004265) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1-(butylamino)ethanol.

Molecular Properties

Compound Name1-(butylamino)ethanol
PubChem CID18004265
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1-(butylamino)ethanol
SMILESCCCCNC(C)O
InChIInChI=1S/C6H15NO/c1-3-4-5-7-6(2)8/h6-8H,3-5H2,1-2H3
InChIKeyZUYWFUUNQDJUKG-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(butylamino)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-(butylamino)ethanol?
The IUPAC name of 1-(butylamino)ethanol (CID 18004265) is 1-(butylamino)ethanol.
What is the SMILES notation for 1-(butylamino)ethanol?
The canonical SMILES for 1-(butylamino)ethanol is CCCCNC(C)O.
What is the InChIKey of 1-(butylamino)ethanol?
The InChIKey is ZUYWFUUNQDJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-4-5-7-6(2)8/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(butylamino)ethanol?
1-(butylamino)ethanol has a molecular weight of 117.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)ethanol is sourced from PubChem (CID 18004265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).