trimethyl-[1-(octadecanoylamino)propyl]azanium chloride

C24H51ClN2O — CID 3015842

IUPACtrimethyl-[1-(octadecanoylamino)propyl]azanium chloride
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C24H50N2O.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25-23(7-2)26(3,4)5;/h23H,6-22H2,1-5H3;1H
InChIKeyOHANZUSHCSEVTQ-UHFFFAOYSA-N
MW419.14 g/mol
LogP3.81
Rot. Bonds19

About trimethyl-[1-(octadecanoylamino)propyl]azanium chloride

trimethyl-[1-(octadecanoylamino)propyl]azanium chloride (PubChem CID 3015842) has the molecular formula C24H51ClN2O and a molecular weight of 419.14 g/mol. Its IUPAC name is trimethyl-[1-(octadecanoylamino)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[1-(octadecanoylamino)propyl]azanium chloride
PubChem CID3015842
Molecular FormulaC24H51ClN2O
Molecular Weight419.14 g/mol
Exact Mass418.37
IUPAC Nametrimethyl-[1-(octadecanoylamino)propyl]azanium chloride
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C24H50N2O.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25-23(7-2)26(3,4)5;/h23H,6-22H2,1-5H3;1H
InChIKeyOHANZUSHCSEVTQ-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 53.81
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'}

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Related Compounds

N,N-dimethylmethanamine;trimethyl-[1-(octadecanoylamino)propyl]azanium;hydrochloride
CID 175534210
1-(dodecanoylamino)propyl-trimethylazanium;methyl sulfate
CID 22989050
ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium
CID 175120674
diethyl-methyl-[1-(octadecanoylamino)propyl]azanium
CID 19831619
1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium
CID 87078241
N-pentan-3-yldocosanamide
CID 123339332
bis[1-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 23119748
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
[1-carboxy-2-(octadec-9-enoylamino)butyl]-trimethylazanium
CID 54201231
N-pentan-2-ylundecanamide
CID 173258559

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(octadecanoylamino)propyl]azanium chloride?
The IUPAC name of trimethyl-[1-(octadecanoylamino)propyl]azanium chloride (CID 3015842) is trimethyl-[1-(octadecanoylamino)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[1-(octadecanoylamino)propyl]azanium chloride?
The canonical SMILES for trimethyl-[1-(octadecanoylamino)propyl]azanium chloride is CCCCCCCCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[1-(octadecanoylamino)propyl]azanium chloride?
The InChIKey is OHANZUSHCSEVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25-23(7-2)26(3,4)5;/h23H,6-22H2,1-5H3;1H.
What are the key properties of trimethyl-[1-(octadecanoylamino)propyl]azanium chloride?
trimethyl-[1-(octadecanoylamino)propyl]azanium chloride has a molecular weight of 419.14 g/mol, XLogP of 3.81, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(octadecanoylamino)propyl]azanium chloride is sourced from PubChem (CID 3015842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).