dimethyl-bis(2-methyltetradecyl)azanium chloride

C32H68ClN — CID 18681297

IUPACdimethyl-bis(2-methyltetradecyl)azanium chloride
SMILESCCCCCCCCCCCCC(C)C[N+](C)(C)CC(C)CCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C32H68N.ClH/c1-7-9-11-13-15-17-19-21-23-25-27-31(3)29-33(5,6)30-32(4)28-26-24-22-20-18-16-14-12-10-8-2;/h31-32H,7-30H2,1-6H3;1H/q+1;/p-1
InChIKeySUZLDSNLFAOJLB-UHFFFAOYSA-M
MW502.36 g/mol
LogP7.96
Rot. Bonds26

About dimethyl-bis(2-methyltetradecyl)azanium chloride

dimethyl-bis(2-methyltetradecyl)azanium chloride (PubChem CID 18681297) has the molecular formula C32H68ClN and a molecular weight of 502.36 g/mol. Its IUPAC name is dimethyl-bis(2-methyltetradecyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-bis(2-methyltetradecyl)azanium chloride
PubChem CID18681297
Molecular FormulaC32H68ClN
Molecular Weight502.36 g/mol
Exact Mass501.50
IUPAC Namedimethyl-bis(2-methyltetradecyl)azanium chloride
SMILESCCCCCCCCCCCCC(C)C[N+](C)(C)CC(C)CCCCCCCCCCCC.[Cl-]
InChIInChI=1S/C32H68N.ClH/c1-7-9-11-13-15-17-19-21-23-25-27-31(3)29-33(5,6)30-32(4)28-26-24-22-20-18-16-14-12-10-8-2;/h31-32H,7-30H2,1-6H3;1H/q+1;/p-1
InChIKeySUZLDSNLFAOJLB-UHFFFAOYSA-M
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.36
LogP ≤ 57.96
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

dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
CID 123829284
dimethyl-(2-methyltetradecyl)-prop-2-enylazanium
CID 174309034
6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2-methyltetradecyl)azanium chloride?
The IUPAC name of dimethyl-bis(2-methyltetradecyl)azanium chloride (CID 18681297) is dimethyl-bis(2-methyltetradecyl)azanium chloride.
What is the SMILES notation for dimethyl-bis(2-methyltetradecyl)azanium chloride?
The canonical SMILES for dimethyl-bis(2-methyltetradecyl)azanium chloride is CCCCCCCCCCCCC(C)C[N+](C)(C)CC(C)CCCCCCCCCCCC.[Cl-].
What is the InChIKey of dimethyl-bis(2-methyltetradecyl)azanium chloride?
The InChIKey is SUZLDSNLFAOJLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H68N.ClH/c1-7-9-11-13-15-17-19-21-23-25-27-31(3)29-33(5,6)30-32(4)28-26-24-22-20-18-16-14-12-10-8-2;/h31-32H,7-30H2,1-6H3;1H/q+1;/p-1.
What are the key properties of dimethyl-bis(2-methyltetradecyl)azanium chloride?
dimethyl-bis(2-methyltetradecyl)azanium chloride has a molecular weight of 502.36 g/mol, XLogP of 7.96, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyltetradecyl)azanium chloride is sourced from PubChem (CID 18681297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).