azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride

C26H60Cl2N2 — CID 141486258

IUPACazanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride
SMILESCCCCCCCCCCCCCCCCCCC(C)C(C)(C)[N+](C)(C)C.[Cl-].[Cl-].[NH4+]
InChIInChI=1S/C26H56N.2ClH.H3N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(3,4)27(5,6)7;;;/h25H,8-24H2,1-7H3;2*1H;1H3/q+1;;;/p-1
InChIKeyHOPHZAWSRFOOGN-UHFFFAOYSA-M
MW471.69 g/mol
LogP3.14
Rot. Bonds19

About azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride

azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride (PubChem CID 141486258) has the molecular formula C26H60Cl2N2 and a molecular weight of 471.69 g/mol. Its IUPAC name is azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride.

Molecular Properties

Compound Nameazanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride
PubChem CID141486258
Molecular FormulaC26H60Cl2N2
Molecular Weight471.69 g/mol
Exact Mass470.41
IUPAC Nameazanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride
SMILESCCCCCCCCCCCCCCCCCCC(C)C(C)(C)[N+](C)(C)C.[Cl-].[Cl-].[NH4+]
InChIInChI=1S/C26H56N.2ClH.H3N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(3,4)27(5,6)7;;;/h25H,8-24H2,1-7H3;2*1H;1H3/q+1;;;/p-1
InChIKeyHOPHZAWSRFOOGN-UHFFFAOYSA-M
XLogP3.14
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.69
LogP ≤ 53.14
H-Bond Donors ≤ 51
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

2,3-dimethylhenicosan-2-yl(trimethoxy)azanium
CID 175531441
2,2,3-trimethylundecane
CID 21285055
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
decan-2-yl(trimethyl)azanium chloride
CID 174768597
4,5-dimethylheptadecan-4-yl-methyl-dipropylazanium chloride
CID 175358418
2-chloro-2,3-dimethylnonane
CID 87897655
2,3-dimethylhexadecan-2-amine
CID 87479269
2,3,3,4-tetramethylnonadecane
CID 174953704
2-chloro-2,3-dimethyltridecane
CID 87222996
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
2,3-dimethyltridecane-2-thiol
CID 175066611

Frequently Asked Questions

What is the IUPAC name of azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride?
The IUPAC name of azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride (CID 141486258) is azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride.
What is the SMILES notation for azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride?
The canonical SMILES for azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride is CCCCCCCCCCCCCCCCCCC(C)C(C)(C)[N+](C)(C)C.[Cl-].[Cl-].[NH4+].
What is the InChIKey of azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride?
The InChIKey is HOPHZAWSRFOOGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H56N.2ClH.H3N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(3,4)27(5,6)7;;;/h25H,8-24H2,1-7H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride?
azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride has a molecular weight of 471.69 g/mol, XLogP of 3.14, 19 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2,3-dimethylhenicosan-2-yl(trimethyl)azanium;dichloride is sourced from PubChem (CID 141486258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).