3-(Nonadecylamino)propan-1-ol

C22H47NO — CID 20249691

IUPAC3-(nonadecylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCNCCCO
InChIInChI=1S/C22H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24/h23-24H,2-22H2,1H3
InChIKeyHLDLGJZGIYIRHC-UHFFFAOYSA-N
MW341.60 g/mol
LogP8.80
Rot. Bonds21

About 3-(Nonadecylamino)propan-1-ol

3-(Nonadecylamino)propan-1-ol (PubChem CID 20249691) has the molecular formula C22H47NO and a molecular weight of 341.60 g/mol. Its IUPAC name is 3-(nonadecylamino)propan-1-ol.

Molecular Properties

Compound Name3-(Nonadecylamino)propan-1-ol
PubChem CID20249691
Molecular FormulaC22H47NO
Molecular Weight341.60 g/mol
Exact Mass341.37
IUPAC Name3-(nonadecylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCNCCCO
InChIInChI=1S/C22H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24/h23-24H,2-22H2,1H3
InChIKeyHLDLGJZGIYIRHC-UHFFFAOYSA-N
XLogP8.80
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms24
Complexity208

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.60
LogP ≤ 58.80
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-(Nonadecylamino)propan-1-ol?
The IUPAC name of 3-(Nonadecylamino)propan-1-ol (CID 20249691) is 3-(nonadecylamino)propan-1-ol.
What is the SMILES notation for 3-(Nonadecylamino)propan-1-ol?
The canonical SMILES for 3-(Nonadecylamino)propan-1-ol is CCCCCCCCCCCCCCCCCCCNCCCO.
What is the InChIKey of 3-(Nonadecylamino)propan-1-ol?
The InChIKey is HLDLGJZGIYIRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24/h23-24H,2-22H2,1H3.
What are the key properties of 3-(Nonadecylamino)propan-1-ol?
3-(Nonadecylamino)propan-1-ol has a molecular weight of 341.60 g/mol, XLogP of 8.80, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Nonadecylamino)propan-1-ol is sourced from PubChem (CID 20249691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).