2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid

C22H49N2O3+ — CID 174836924

IUPAC2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCO.O=NO
InChIInChI=1S/C22H48NO.HNO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22-24;2-1-3/h24H,4-22H2,1-3H3;(H,2,3)/q+1;
InChIKeyNQTCMRHKEQQTOY-UHFFFAOYSA-N
MW389.65 g/mol
LogP6.46
Rot. Bonds19

About 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid

2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid (PubChem CID 174836924) has the molecular formula C22H49N2O3+ and a molecular weight of 389.65 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid
PubChem CID174836924
Molecular FormulaC22H49N2O3+
Molecular Weight389.65 g/mol
Exact Mass389.37
IUPAC Name2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCO.O=NO
InChIInChI=1S/C22H48NO.HNO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22-24;2-1-3/h24H,4-22H2,1-3H3;(H,2,3)/q+1;
InChIKeyNQTCMRHKEQQTOY-UHFFFAOYSA-N
XLogP6.46
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.65
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(decyl-(2-hydroxyethyl)-dimethylazanium);dichloride;hydrobromide
CID 172747329
2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate
CID 177164068
16-hydroxyhexadecyl-dimethyl-octadecylazanium
CID 88609359
3-hydroxypropyl-dimethyl-octylazanium
CID 139953479
docosyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 141314234
21-hydroxyhenicosyl-dimethyl-octadecylazanium
CID 159508846
2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium
CID 153362920
decyl-(6-hydroxyhexyl)-dimethylazanium chloride
CID 167454737
5-[dimethyl(propyl)azaniumyl]pentyl-(2-hydroxyethyl)-dimethylazanium dibromide
CID 159049358
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
decyl-hexadecyl-dimethylazanium
CID 102585787

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid?
The IUPAC name of 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid (CID 174836924) is 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid?
The canonical SMILES for 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid is CCCCCCCCCCCCCCCCCC[N+](C)(C)CCO.O=NO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid?
The InChIKey is NQTCMRHKEQQTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48NO.HNO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22-24;2-1-3/h24H,4-22H2,1-3H3;(H,2,3)/q+1;.
What are the key properties of 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid?
2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid has a molecular weight of 389.65 g/mol, XLogP of 6.46, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid is sourced from PubChem (CID 174836924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).