decyl-methyl-bis(2-methylpropyl)azanium

C19H42N+ — CID 176583048

IUPACdecyl-methyl-bis(2-methylpropyl)azanium
SMILESCCCCCCCCCC[N+](C)(CC(C)C)CC(C)C
InChIInChI=1S/C19H42N/c1-7-8-9-10-11-12-13-14-15-20(6,16-18(2)3)17-19(4)5/h18-19H,7-17H2,1-6H3/q+1
InChIKeyVHLUWDHPWLMCNC-UHFFFAOYSA-N
MW284.55 g/mol
LogP5.89
Rot. Bonds13

About decyl-methyl-bis(2-methylpropyl)azanium

decyl-methyl-bis(2-methylpropyl)azanium (PubChem CID 176583048) has the molecular formula C19H42N+ and a molecular weight of 284.55 g/mol. Its IUPAC name is decyl-methyl-bis(2-methylpropyl)azanium.

Molecular Properties

Compound Namedecyl-methyl-bis(2-methylpropyl)azanium
PubChem CID176583048
Molecular FormulaC19H42N+
Molecular Weight284.55 g/mol
Exact Mass284.33
IUPAC Namedecyl-methyl-bis(2-methylpropyl)azanium
SMILESCCCCCCCCCC[N+](C)(CC(C)C)CC(C)C
InChIInChI=1S/C19H42N/c1-7-8-9-10-11-12-13-14-15-20(6,16-18(2)3)17-19(4)5/h18-19H,7-17H2,1-6H3/q+1
InChIKeyVHLUWDHPWLMCNC-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.55
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-(2-methylpropyl)-dioctadecylazanium
CID 167409496
methyl-(4-methylpentyl)-di(undecyl)azanium
CID 167409272
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
methyl-tri(nonyl)azanium iodide
CID 88652767
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050
methyl(trioctyl)azanium;hydrochloride
CID 174428259
azane;methyl-tri(tetradecyl)azanium
CID 172739350

Frequently Asked Questions

What is the IUPAC name of decyl-methyl-bis(2-methylpropyl)azanium?
The IUPAC name of decyl-methyl-bis(2-methylpropyl)azanium (CID 176583048) is decyl-methyl-bis(2-methylpropyl)azanium.
What is the SMILES notation for decyl-methyl-bis(2-methylpropyl)azanium?
The canonical SMILES for decyl-methyl-bis(2-methylpropyl)azanium is CCCCCCCCCC[N+](C)(CC(C)C)CC(C)C.
What is the InChIKey of decyl-methyl-bis(2-methylpropyl)azanium?
The InChIKey is VHLUWDHPWLMCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N/c1-7-8-9-10-11-12-13-14-15-20(6,16-18(2)3)17-19(4)5/h18-19H,7-17H2,1-6H3/q+1.
What are the key properties of decyl-methyl-bis(2-methylpropyl)azanium?
decyl-methyl-bis(2-methylpropyl)azanium has a molecular weight of 284.55 g/mol, XLogP of 5.89, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-methyl-bis(2-methylpropyl)azanium is sourced from PubChem (CID 176583048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).