3-(dodecylamino)propan-1-ol

C15H33NO — CID 13122219

IUPAC3-(dodecylamino)propan-1-ol
SMILESCCCCCCCCCCCCNCCCO
InChIInChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17/h16-17H,2-15H2,1H3
InChIKeyDJUWUNFYMKYEFI-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.88
Rot. Bonds14

About 3-(dodecylamino)propan-1-ol

3-(dodecylamino)propan-1-ol (PubChem CID 13122219) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-(dodecylamino)propan-1-ol.

Molecular Properties

Compound Name3-(dodecylamino)propan-1-ol
PubChem CID13122219
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-(dodecylamino)propan-1-ol
SMILESCCCCCCCCCCCCNCCCO
InChIInChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17/h16-17H,2-15H2,1H3
InChIKeyDJUWUNFYMKYEFI-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.88
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-(dodecylamino)propan-1-ol?
The IUPAC name of 3-(dodecylamino)propan-1-ol (CID 13122219) is 3-(dodecylamino)propan-1-ol.
What is the SMILES notation for 3-(dodecylamino)propan-1-ol?
The canonical SMILES for 3-(dodecylamino)propan-1-ol is CCCCCCCCCCCCNCCCO.
What is the InChIKey of 3-(dodecylamino)propan-1-ol?
The InChIKey is DJUWUNFYMKYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17/h16-17H,2-15H2,1H3.
What are the key properties of 3-(dodecylamino)propan-1-ol?
3-(dodecylamino)propan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.88, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecylamino)propan-1-ol is sourced from PubChem (CID 13122219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).