2-(dodecylamino)butan-1-ol

C16H35NO — CID 10491396

IUPAC2-(dodecylamino)butan-1-ol
SMILESCCCCCCCCCCCCNC(CC)CO
InChIInChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17-16(4-2)15-18/h16-18H,3-15H2,1-2H3
InChIKeyVPKBUNKEIVTICD-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.27
Rot. Bonds14

About 2-(dodecylamino)butan-1-ol

2-(dodecylamino)butan-1-ol (PubChem CID 10491396) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-(dodecylamino)butan-1-ol.

Molecular Properties

Compound Name2-(dodecylamino)butan-1-ol
PubChem CID10491396
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-(dodecylamino)butan-1-ol
SMILESCCCCCCCCCCCCNC(CC)CO
InChIInChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17-16(4-2)15-18/h16-18H,3-15H2,1-2H3
InChIKeyVPKBUNKEIVTICD-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dodecylamino)butan-1-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 2-(dodecylamino)butan-1-ol?
The IUPAC name of 2-(dodecylamino)butan-1-ol (CID 10491396) is 2-(dodecylamino)butan-1-ol.
What is the SMILES notation for 2-(dodecylamino)butan-1-ol?
The canonical SMILES for 2-(dodecylamino)butan-1-ol is CCCCCCCCCCCCNC(CC)CO.
What is the InChIKey of 2-(dodecylamino)butan-1-ol?
The InChIKey is VPKBUNKEIVTICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17-16(4-2)15-18/h16-18H,3-15H2,1-2H3.
What are the key properties of 2-(dodecylamino)butan-1-ol?
2-(dodecylamino)butan-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.27, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylamino)butan-1-ol is sourced from PubChem (CID 10491396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).