didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride

C24H56Cl2N2 — CID 173014619

IUPACdidecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.CNC.Cl.[Cl-]
InChIInChI=1S/C22H48N.C2H7N.2ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-3-2;;/h5-22H2,1-4H3;3H,1-2H3;2*1H/q+1;;;/p-1
InChIKeyWYMIFLRBLVZIMF-UHFFFAOYSA-M
MW443.63 g/mol
LogP4.61
Rot. Bonds18

About didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride

didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride (PubChem CID 173014619) has the molecular formula C24H56Cl2N2 and a molecular weight of 443.63 g/mol. Its IUPAC name is didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride.

Molecular Properties

Compound Namedidecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride
PubChem CID173014619
Molecular FormulaC24H56Cl2N2
Molecular Weight443.63 g/mol
Exact Mass442.38
IUPAC Namedidecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.CNC.Cl.[Cl-]
InChIInChI=1S/C22H48N.C2H7N.2ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-3-2;;/h5-22H2,1-4H3;3H,1-2H3;2*1H/q+1;;;/p-1
InChIKeyWYMIFLRBLVZIMF-UHFFFAOYSA-M
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.61
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

hexyl-icosyl-dimethylazanium chloride
CID 141083999
decyl-hexyl-dimethylazanium chloride
CID 19369138
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-dimethyl-nonylazanium chloride
CID 23185420
azane;butyl-decyl-dimethylazanium;chloride;hydrochloride
CID 173206612
dodecyl-dimethyl-undecylazanium
CID 21491028
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288

Frequently Asked Questions

What is the IUPAC name of didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride?
The IUPAC name of didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride (CID 173014619) is didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride.
What is the SMILES notation for didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride?
The canonical SMILES for didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride is CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.CNC.Cl.[Cl-].
What is the InChIKey of didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride?
The InChIKey is WYMIFLRBLVZIMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H48N.C2H7N.2ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-3-2;;/h5-22H2,1-4H3;3H,1-2H3;2*1H/q+1;;;/p-1.
What are the key properties of didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride?
didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride has a molecular weight of 443.63 g/mol, XLogP of 4.61, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl(dimethyl)azanium;N-methylmethanamine;chloride;hydrochloride is sourced from PubChem (CID 173014619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).