2-hydroxyethyl-dimethyl-(octanoylamino)azanium

C12H27N2O2+ — CID 15496013

IUPAC2-hydroxyethyl-dimethyl-(octanoylamino)azanium
SMILESCCCCCCCC(=O)N[N+](C)(C)CCO
InChIInChI=1S/C12H26N2O2/c1-4-5-6-7-8-9-12(16)13-14(2,3)10-11-15/h15H,4-11H2,1-3H3/p+1
InChIKeyDBLRSCLCRVNOBF-UHFFFAOYSA-O
MW231.36 g/mol
LogP1.45
Rot. Bonds9

About 2-hydroxyethyl-dimethyl-(octanoylamino)azanium

2-hydroxyethyl-dimethyl-(octanoylamino)azanium (PubChem CID 15496013) has the molecular formula C12H27N2O2+ and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(octanoylamino)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(octanoylamino)azanium
PubChem CID15496013
Molecular FormulaC12H27N2O2+
Molecular Weight231.36 g/mol
Exact Mass231.21
IUPAC Name2-hydroxyethyl-dimethyl-(octanoylamino)azanium
SMILESCCCCCCCC(=O)N[N+](C)(C)CCO
InChIInChI=1S/C12H26N2O2/c1-4-5-6-7-8-9-12(16)13-14(2,3)10-11-15/h15H,4-11H2,1-3H3/p+1
InChIKeyDBLRSCLCRVNOBF-UHFFFAOYSA-O
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(dodecanoylamino)-dimethyl-propylazanium chloride
CID 175462059
dimethyl-[[(Z)-octadec-9-enoyl]amino]-propylazanium
CID 87094383
[[(Z)-docos-13-enoyl]amino]-dimethyl-propylazanium acetate
CID 87930887
bis[2-(hexadecanoylamino)ethyl]-(2-hydroxyethyl)-methylazanium chloride
CID 166487548
triethyl-(octadecanoylamino)azanium
CID 54543010
2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium iodide
CID 141035948
2-hydroxyethyl-dimethyl-octadecanoylazanium
CID 21145645
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
acetamido-hexadecyl-dimethylazanium
CID 154504461
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-(octanoylamino)azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-(octanoylamino)azanium (CID 15496013) is 2-hydroxyethyl-dimethyl-(octanoylamino)azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(octanoylamino)azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(octanoylamino)azanium is CCCCCCCC(=O)N[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-(octanoylamino)azanium?
The InChIKey is DBLRSCLCRVNOBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H26N2O2/c1-4-5-6-7-8-9-12(16)13-14(2,3)10-11-15/h15H,4-11H2,1-3H3/p+1.
What are the key properties of 2-hydroxyethyl-dimethyl-(octanoylamino)azanium?
2-hydroxyethyl-dimethyl-(octanoylamino)azanium has a molecular weight of 231.36 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-(octanoylamino)azanium is sourced from PubChem (CID 15496013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).