1-hydroxynonyl(tripropyl)azanium

C18H40NO+ — CID 19089786

IUPAC1-hydroxynonyl(tripropyl)azanium
SMILESCCCCCCCCC(O)[N+](CCC)(CCC)CCC
InChIInChI=1S/C18H40NO/c1-5-9-10-11-12-13-14-18(20)19(15-6-2,16-7-3)17-8-4/h18,20H,5-17H2,1-4H3/q+1
InChIKeyVBFPSGYPRZULET-UHFFFAOYSA-N
MW286.52 g/mol
LogP5.10
Rot. Bonds14

About 1-hydroxynonyl(tripropyl)azanium

1-hydroxynonyl(tripropyl)azanium (PubChem CID 19089786) has the molecular formula C18H40NO+ and a molecular weight of 286.52 g/mol. Its IUPAC name is 1-hydroxynonyl(tripropyl)azanium.

Molecular Properties

Compound Name1-hydroxynonyl(tripropyl)azanium
PubChem CID19089786
Molecular FormulaC18H40NO+
Molecular Weight286.52 g/mol
Exact Mass286.31
IUPAC Name1-hydroxynonyl(tripropyl)azanium
SMILESCCCCCCCCC(O)[N+](CCC)(CCC)CCC
InChIInChI=1S/C18H40NO/c1-5-9-10-11-12-13-14-18(20)19(15-6-2,16-7-3)17-8-4/h18,20H,5-17H2,1-4H3/q+1
InChIKeyVBFPSGYPRZULET-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-hydroxynonyl(tripropyl)azanium 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 1-hydroxynonyl(tripropyl)azanium?
The IUPAC name of 1-hydroxynonyl(tripropyl)azanium (CID 19089786) is 1-hydroxynonyl(tripropyl)azanium.
What is the SMILES notation for 1-hydroxynonyl(tripropyl)azanium?
The canonical SMILES for 1-hydroxynonyl(tripropyl)azanium is CCCCCCCCC(O)[N+](CCC)(CCC)CCC.
What is the InChIKey of 1-hydroxynonyl(tripropyl)azanium?
The InChIKey is VBFPSGYPRZULET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO/c1-5-9-10-11-12-13-14-18(20)19(15-6-2,16-7-3)17-8-4/h18,20H,5-17H2,1-4H3/q+1.
What are the key properties of 1-hydroxynonyl(tripropyl)azanium?
1-hydroxynonyl(tripropyl)azanium has a molecular weight of 286.52 g/mol, XLogP of 5.10, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxynonyl(tripropyl)azanium is sourced from PubChem (CID 19089786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).