Dimethyl(18-methylnonadecyl)azanium chloride

C22H48ClN — CID 88326813

IUPACdimethyl(18-methylnonadecyl)azanium chloride
SMILESCC(C)CCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C22H47N.ClH/c1-22(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23(3)4;/h22H,5-21H2,1-4H3;1H
InChIKeyLKTNSRASURAEFS-UHFFFAOYSA-N
MW362.10 g/mol
LogP—
Rot. Bonds18

About Dimethyl(18-methylnonadecyl)azanium chloride

Dimethyl(18-methylnonadecyl)azanium chloride (PubChem CID 88326813) has the molecular formula C22H48ClN and a molecular weight of 362.10 g/mol. Its IUPAC name is dimethyl(18-methylnonadecyl)azanium chloride.

Molecular Properties

Compound NameDimethyl(18-methylnonadecyl)azanium chloride
PubChem CID88326813
Molecular FormulaC22H48ClN
Molecular Weight362.10 g/mol
Exact Mass361.35
IUPAC Namedimethyl(18-methylnonadecyl)azanium chloride
SMILESCC(C)CCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C22H47N.ClH/c1-22(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23(3)4;/h22H,5-21H2,1-4H3;1H
InChIKeyLKTNSRASURAEFS-UHFFFAOYSA-N
XLogP—
TPSA4.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity210

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-ethylhexyl)amine
CID 7791
Dodecylhexadecyltrimonium Chloride
CID 21917627
Caprylisononyldimethylammonium chloride
CID 9950184
N,N-Dimethylhexadecylamine hydrochloride
CID 16220
Isononanamine, N-isononyl-
CID 168808
N-(2-methylpropyl)dodecan-1-amine
CID 19837645
1-Octanamine, N,N-dioctyl-, hydrochloride (1:1)
CID 70915
Stearyldimethylammonium chloride
CID 15364
N,N-Dimethylheptadecan-1-amine--hydrogen chloride (1/1)
CID 16218
Isotridecanamine, N-isotridecyl-
CID 92691
N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90675692
Haliclorensin C
CID 45379848

Frequently Asked Questions

What is the IUPAC name of Dimethyl(18-methylnonadecyl)azanium chloride?
The IUPAC name of Dimethyl(18-methylnonadecyl)azanium chloride (CID 88326813) is dimethyl(18-methylnonadecyl)azanium chloride.
What is the SMILES notation for Dimethyl(18-methylnonadecyl)azanium chloride?
The canonical SMILES for Dimethyl(18-methylnonadecyl)azanium chloride is CC(C)CCCCCCCCCCCCCCCCC[NH+](C)C.[Cl-].
What is the InChIKey of Dimethyl(18-methylnonadecyl)azanium chloride?
The InChIKey is LKTNSRASURAEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N.ClH/c1-22(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23(3)4;/h22H,5-21H2,1-4H3;1H.
What are the key properties of Dimethyl(18-methylnonadecyl)azanium chloride?
Dimethyl(18-methylnonadecyl)azanium chloride has a molecular weight of 362.10 g/mol, XLogP of not available, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Dimethyl(18-methylnonadecyl)azanium chloride is sourced from PubChem (CID 88326813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).