3-(hexadecylamino)propan-1-ol

C19H41NO — CID 5220432

IUPAC3-(hexadecylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCCCNCCCO
InChIInChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21/h20-21H,2-19H2,1H3
InChIKeyMNUDVSZRVYIBDQ-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.44
Rot. Bonds18

About 3-(hexadecylamino)propan-1-ol

3-(hexadecylamino)propan-1-ol (PubChem CID 5220432) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 3-(hexadecylamino)propan-1-ol.

Molecular Properties

Compound Name3-(hexadecylamino)propan-1-ol
PubChem CID5220432
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name3-(hexadecylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCCCNCCCO
InChIInChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21/h20-21H,2-19H2,1H3
InChIKeyMNUDVSZRVYIBDQ-UHFFFAOYSA-N
XLogP5.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hexadecylamino)propan-1-ol?
The IUPAC name of 3-(hexadecylamino)propan-1-ol (CID 5220432) is 3-(hexadecylamino)propan-1-ol.
What is the SMILES notation for 3-(hexadecylamino)propan-1-ol?
The canonical SMILES for 3-(hexadecylamino)propan-1-ol is CCCCCCCCCCCCCCCCNCCCO.
What is the InChIKey of 3-(hexadecylamino)propan-1-ol?
The InChIKey is MNUDVSZRVYIBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21/h20-21H,2-19H2,1H3.
What are the key properties of 3-(hexadecylamino)propan-1-ol?
3-(hexadecylamino)propan-1-ol has a molecular weight of 299.54 g/mol, XLogP of 5.44, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexadecylamino)propan-1-ol is sourced from PubChem (CID 5220432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).