14,14-dimethylpentadecyl(trimethyl)azanium

C20H44N+ — CID 141484398

IUPAC14,14-dimethylpentadecyl(trimethyl)azanium
SMILESCC(C)(C)CCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C20H44N/c1-20(2,3)18-16-14-12-10-8-7-9-11-13-15-17-19-21(4,5)6/h7-19H2,1-6H3/q+1
InChIKeyGOHWPHWRRRFKAO-UHFFFAOYSA-N
MW298.58 g/mol
LogP6.42
Rot. Bonds13

About 14,14-dimethylpentadecyl(trimethyl)azanium

14,14-dimethylpentadecyl(trimethyl)azanium (PubChem CID 141484398) has the molecular formula C20H44N+ and a molecular weight of 298.58 g/mol. Its IUPAC name is 14,14-dimethylpentadecyl(trimethyl)azanium.

Molecular Properties

Compound Name14,14-dimethylpentadecyl(trimethyl)azanium
PubChem CID141484398
Molecular FormulaC20H44N+
Molecular Weight298.58 g/mol
Exact Mass298.35
IUPAC Name14,14-dimethylpentadecyl(trimethyl)azanium
SMILESCC(C)(C)CCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C20H44N/c1-20(2,3)18-16-14-12-10-8-7-9-11-13-15-17-19-21(4,5)6/h7-19H2,1-6H3/q+1
InChIKeyGOHWPHWRRRFKAO-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.58
LogP ≤ 56.42
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

trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
tris(10,10-dimethylundecyl)phosphane
CID 152732477
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
(4-chloro-4-methylpentyl)-trimethylazanium
CID 2780483
(10-hydroxy-10,10-diphosphonodecyl)-trimethylazanium
CID 157356685

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethylpentadecyl(trimethyl)azanium?
The IUPAC name of 14,14-dimethylpentadecyl(trimethyl)azanium (CID 141484398) is 14,14-dimethylpentadecyl(trimethyl)azanium.
What is the SMILES notation for 14,14-dimethylpentadecyl(trimethyl)azanium?
The canonical SMILES for 14,14-dimethylpentadecyl(trimethyl)azanium is CC(C)(C)CCCCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of 14,14-dimethylpentadecyl(trimethyl)azanium?
The InChIKey is GOHWPHWRRRFKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N/c1-20(2,3)18-16-14-12-10-8-7-9-11-13-15-17-19-21(4,5)6/h7-19H2,1-6H3/q+1.
What are the key properties of 14,14-dimethylpentadecyl(trimethyl)azanium?
14,14-dimethylpentadecyl(trimethyl)azanium has a molecular weight of 298.58 g/mol, XLogP of 6.42, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethylpentadecyl(trimethyl)azanium is sourced from PubChem (CID 141484398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).