dimethyl(16-methylheptadecyl)azanium chloride

C20H44ClN — CID 19899891

IUPACdimethyl(16-methylheptadecyl)azanium chloride
SMILESCC(C)CCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C20H43N.ClH/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(3)4;/h20H,5-19H2,1-4H3;1H
InChIKeyUNNNASHJCGYARJ-UHFFFAOYSA-N
MW334.03 g/mol
LogP2.25
Rot. Bonds16

About dimethyl(16-methylheptadecyl)azanium chloride

dimethyl(16-methylheptadecyl)azanium chloride (PubChem CID 19899891) has the molecular formula C20H44ClN and a molecular weight of 334.03 g/mol. Its IUPAC name is dimethyl(16-methylheptadecyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(16-methylheptadecyl)azanium chloride
PubChem CID19899891
Molecular FormulaC20H44ClN
Molecular Weight334.03 g/mol
Exact Mass333.32
IUPAC Namedimethyl(16-methylheptadecyl)azanium chloride
SMILESCC(C)CCCCCCCCCCCCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C20H43N.ClH/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(3)4;/h20H,5-19H2,1-4H3;1H
InChIKeyUNNNASHJCGYARJ-UHFFFAOYSA-N
XLogP2.25
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.03
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(16-methylheptadecyl)azanium chloride?
The IUPAC name of dimethyl(16-methylheptadecyl)azanium chloride (CID 19899891) is dimethyl(16-methylheptadecyl)azanium chloride.
What is the SMILES notation for dimethyl(16-methylheptadecyl)azanium chloride?
The canonical SMILES for dimethyl(16-methylheptadecyl)azanium chloride is CC(C)CCCCCCCCCCCCCCC[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl(16-methylheptadecyl)azanium chloride?
The InChIKey is UNNNASHJCGYARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N.ClH/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(3)4;/h20H,5-19H2,1-4H3;1H.
What are the key properties of dimethyl(16-methylheptadecyl)azanium chloride?
dimethyl(16-methylheptadecyl)azanium chloride has a molecular weight of 334.03 g/mol, XLogP of 2.25, 16 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(16-methylheptadecyl)azanium chloride is sourced from PubChem (CID 19899891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).