1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium

C19H41N2O2+ — CID 87078241

IUPAC1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium
SMILESCCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)C(C)O
InChIInChI=1S/C19H40N2O2/c1-6-8-9-10-11-12-13-14-15-16-19(23)20-18(7-2)21(4,5)17(3)22/h17-18,22H,6-16H2,1-5H3/p+1
InChIKeyDRPPWHDDUVBYQB-UHFFFAOYSA-O
MW329.55 g/mol
LogP4.17
Rot. Bonds14

About 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium

1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium (PubChem CID 87078241) has the molecular formula C19H41N2O2+ and a molecular weight of 329.55 g/mol. Its IUPAC name is 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium
PubChem CID87078241
Molecular FormulaC19H41N2O2+
Molecular Weight329.55 g/mol
Exact Mass329.32
IUPAC Name1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium
SMILESCCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)C(C)O
InChIInChI=1S/C19H40N2O2/c1-6-8-9-10-11-12-13-14-15-16-19(23)20-18(7-2)21(4,5)17(3)22/h17-18,22H,6-16H2,1-5H3/p+1
InChIKeyDRPPWHDDUVBYQB-UHFFFAOYSA-O
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

trimethyl-[1-(octadecanoylamino)propyl]azanium chloride
CID 3015842
diethyl-methyl-[1-(octadecanoylamino)propyl]azanium
CID 19831619
ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium
CID 175120674
N,N-dimethylmethanamine;trimethyl-[1-(octadecanoylamino)propyl]azanium;hydrochloride
CID 175534210
bis[1-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 23119748
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-pentan-3-yldocosanamide
CID 123339332
1-(dodecanoylamino)propyl-trimethylazanium;methyl sulfate
CID 22989050
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium?
The IUPAC name of 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium (CID 87078241) is 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium is CCCCCCCCCCCC(=O)NC(CC)[N+](C)(C)C(C)O.
What is the InChIKey of 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium?
The InChIKey is DRPPWHDDUVBYQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H40N2O2/c1-6-8-9-10-11-12-13-14-15-16-19(23)20-18(7-2)21(4,5)17(3)22/h17-18,22H,6-16H2,1-5H3/p+1.
What are the key properties of 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium?
1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium has a molecular weight of 329.55 g/mol, XLogP of 4.17, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 87078241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).