didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium

C25H52NO+ — CID 19839222

IUPACdidecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC1CO1
InChIInChI=1S/C25H52NO/c1-4-6-8-10-12-14-16-18-21-26(3,23-20-25-24-27-25)22-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3/q+1
InChIKeyFUSWBFSUOPUMJE-UHFFFAOYSA-N
MW382.70 g/mol
LogP7.50
Rot. Bonds21

About didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium

didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium (PubChem CID 19839222) has the molecular formula C25H52NO+ and a molecular weight of 382.70 g/mol. Its IUPAC name is didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium.

Molecular Properties

Compound Namedidecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium
PubChem CID19839222
Molecular FormulaC25H52NO+
Molecular Weight382.70 g/mol
Exact Mass382.40
IUPAC Namedidecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC1CO1
InChIInChI=1S/C25H52NO/c1-4-6-8-10-12-14-16-18-21-26(3,23-20-25-24-27-25)22-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3/q+1
InChIKeyFUSWBFSUOPUMJE-UHFFFAOYSA-N
XLogP7.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.70
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl-dioctadecyl-(oxiran-2-ylmethyl)azanium chloride
CID 57483147
dodecyl-methyl-(oxiran-2-ylmethyl)-tetradecylazanium chloride
CID 174322238
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
decyl-heptyl-hexyl-methylazanium
CID 87904248
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989

Frequently Asked Questions

What is the IUPAC name of didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium?
The IUPAC name of didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium (CID 19839222) is didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium.
What is the SMILES notation for didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium?
The canonical SMILES for didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium is CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC1CO1.
What is the InChIKey of didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium?
The InChIKey is FUSWBFSUOPUMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52NO/c1-4-6-8-10-12-14-16-18-21-26(3,23-20-25-24-27-25)22-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3/q+1.
What are the key properties of didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium?
didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium has a molecular weight of 382.70 g/mol, XLogP of 7.50, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl-methyl-[2-(oxiran-2-yl)ethyl]azanium is sourced from PubChem (CID 19839222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).