2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium

C17H36NO2+ — CID 91027514

IUPAC2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium
SMILESCCCCCCCCC(C)C[N+](C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C17H35NO2/c1-7-8-9-10-11-12-13-15(2)14-18(5,6)17(3,4)16(19)20/h15H,7-14H2,1-6H3/p+1
InChIKeyCNRPJBPLZBZPSX-UHFFFAOYSA-O
MW286.48 g/mol
LogP4.31
Rot. Bonds11

About 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium

2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium (PubChem CID 91027514) has the molecular formula C17H36NO2+ and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium.

Molecular Properties

Compound Name2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium
PubChem CID91027514
Molecular FormulaC17H36NO2+
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Name2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium
SMILESCCCCCCCCC(C)C[N+](C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C17H35NO2/c1-7-8-9-10-11-12-13-15(2)14-18(5,6)17(3,4)16(19)20/h15H,7-14H2,1-6H3/p+1
InChIKeyCNRPJBPLZBZPSX-UHFFFAOYSA-O
XLogP4.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
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'}

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Related Compounds

dimethyl-bis(2-methyltetradecyl)azanium chloride
CID 18681297
(2R,4S)-2-amino-2,4-dimethyldecanoic acid
CID 151104039
2-hexadecyl-8-methylicosanoic acid
CID 87355804
(2-carboxy-3-undecylhenicosan-2-yl)-trimethylazanium
CID 122611275
(2-carboxy-3-decyltetradecan-2-yl)-trimethylazanium
CID 122612624
3-methylnonadecanoic acid
CID 13392624
(3S)-3-methylhexadecanoic acid
CID 54227409
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
2,2,5-trimethylundecan-3-one
CID 177435027
10-heptyl-2,2,3,5-tetramethyloctadecanoic acid
CID 175402032
(6S)-6-methyltetradecanoic acid
CID 95858653
(10R)-10-methylheptadecanoic acid
CID 124527302

Frequently Asked Questions

What is the IUPAC name of 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium?
The IUPAC name of 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium (CID 91027514) is 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium.
What is the SMILES notation for 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium?
The canonical SMILES for 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium is CCCCCCCCC(C)C[N+](C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium?
The InChIKey is CNRPJBPLZBZPSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H35NO2/c1-7-8-9-10-11-12-13-15(2)14-18(5,6)17(3,4)16(19)20/h15H,7-14H2,1-6H3/p+1.
What are the key properties of 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium?
2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium has a molecular weight of 286.48 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxypropan-2-yl-dimethyl-(2-methyldecyl)azanium is sourced from PubChem (CID 91027514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).