3-(tetradecylamino)propan-1-ol

C17H37NO — CID 4674685

IUPAC3-(tetradecylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCNCCCO
InChIInChI=1S/C17H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19/h18-19H,2-17H2,1H3
InChIKeyFDZNQCUTOMWCJE-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.66
Rot. Bonds16

About 3-(tetradecylamino)propan-1-ol

3-(tetradecylamino)propan-1-ol (PubChem CID 4674685) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 3-(tetradecylamino)propan-1-ol.

Molecular Properties

Compound Name3-(tetradecylamino)propan-1-ol
PubChem CID4674685
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name3-(tetradecylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCNCCCO
InChIInChI=1S/C17H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19/h18-19H,2-17H2,1H3
InChIKeyFDZNQCUTOMWCJE-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.66
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-(tetradecylamino)propan-1-ol?
The IUPAC name of 3-(tetradecylamino)propan-1-ol (CID 4674685) is 3-(tetradecylamino)propan-1-ol.
What is the SMILES notation for 3-(tetradecylamino)propan-1-ol?
The canonical SMILES for 3-(tetradecylamino)propan-1-ol is CCCCCCCCCCCCCCNCCCO.
What is the InChIKey of 3-(tetradecylamino)propan-1-ol?
The InChIKey is FDZNQCUTOMWCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19/h18-19H,2-17H2,1H3.
What are the key properties of 3-(tetradecylamino)propan-1-ol?
3-(tetradecylamino)propan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 4.66, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetradecylamino)propan-1-ol is sourced from PubChem (CID 4674685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).