3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid

C19H42ClN2O6+ — CID 159060669

IUPAC3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid
SMILESCCCCCCCCCCCC(=O)C(O)C[N+](C)(C)CCCN.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C19H41N2O2.ClHO4/c1-4-5-6-7-8-9-10-11-12-14-18(22)19(23)17-21(2,3)16-13-15-20;2-1(3,4)5/h19,23H,4-17,20H2,1-3H3;(H,2,3,4,5)/q+1;
InChIKeyJYKRIUKCMRIZBW-UHFFFAOYSA-N
MW430.01 g/mol
LogP-0.86
Rot. Bonds16

About 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid

3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid (PubChem CID 159060669) has the molecular formula C19H42ClN2O6+ and a molecular weight of 430.01 g/mol. Its IUPAC name is 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid.

Molecular Properties

Compound Name3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid
PubChem CID159060669
Molecular FormulaC19H42ClN2O6+
Molecular Weight430.01 g/mol
Exact Mass429.27
IUPAC Name3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid
SMILESCCCCCCCCCCCC(=O)C(O)C[N+](C)(C)CCCN.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C19H41N2O2.ClHO4/c1-4-5-6-7-8-9-10-11-12-14-18(22)19(23)17-21(2,3)16-13-15-20;2-1(3,4)5/h19,23H,4-17,20H2,1-3H3;(H,2,3,4,5)/q+1;
InChIKeyJYKRIUKCMRIZBW-UHFFFAOYSA-N
XLogP-0.86
TPSA152.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-3-oxoicosyl)-dimethyl-octadecylazanium
CID 87530865
(2-hydroxy-3-oxohexadecyl)-trimethylazanium chloride
CID 118293432
(2-hydroxy-3-oxooctyl)-trimethylazanium
CID 23183496
3-aminopropyl-(3-hydroxypropyl)-dimethylazanium;docosanoic acid;chloride
CID 159241538
11-[2-hydroxytetradecyl(dimethyl)azaniumyl]undecanoate
CID 88683102
(6-amino-2-hydroxy-3-oxohexyl)-trimethylazanium;chloride;hydrochloride
CID 21126986
3-aminopropyl-heptadecyl-dimethylazanium
CID 142713048
(11S)-11-hydroxyicosan-10-one
CID 98053519
15-hydroxyoctacosan-14-one
CID 11270216
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
1-amino-N-methyl-2-oxo-N-propyltridecan-1-amine oxide
CID 87883041

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid?
The IUPAC name of 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid (CID 159060669) is 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid.
What is the SMILES notation for 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid?
The canonical SMILES for 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid is CCCCCCCCCCCC(=O)C(O)C[N+](C)(C)CCCN.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid?
The InChIKey is JYKRIUKCMRIZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N2O2.ClHO4/c1-4-5-6-7-8-9-10-11-12-14-18(22)19(23)17-21(2,3)16-13-15-20;2-1(3,4)5/h19,23H,4-17,20H2,1-3H3;(H,2,3,4,5)/q+1;.
What are the key properties of 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid?
3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid has a molecular weight of 430.01 g/mol, XLogP of -0.86, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-(2-hydroxy-3-oxotetradecyl)-dimethylazanium;perchloric acid is sourced from PubChem (CID 159060669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).