dimethyl-pentyl-tridecylazanium

C20H44N+ — CID 160884159

IUPACdimethyl-pentyl-tridecylazanium
SMILESCCCCCCCCCCCCC[N+](C)(C)CCCCC
InChIInChI=1S/C20H44N/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h5-20H2,1-4H3/q+1
InChIKeySNKLVHGXYBUEOG-UHFFFAOYSA-N
MW298.58 g/mol
LogP6.56
Rot. Bonds16

About dimethyl-pentyl-tridecylazanium

dimethyl-pentyl-tridecylazanium (PubChem CID 160884159) has the molecular formula C20H44N+ and a molecular weight of 298.58 g/mol. Its IUPAC name is dimethyl-pentyl-tridecylazanium.

Molecular Properties

Compound Namedimethyl-pentyl-tridecylazanium
PubChem CID160884159
Molecular FormulaC20H44N+
Molecular Weight298.58 g/mol
Exact Mass298.35
IUPAC Namedimethyl-pentyl-tridecylazanium
SMILESCCCCCCCCCCCCC[N+](C)(C)CCCCC
InChIInChI=1S/C20H44N/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h5-20H2,1-4H3/q+1
InChIKeySNKLVHGXYBUEOG-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.58
LogP ≤ 56.56
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

dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
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
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of dimethyl-pentyl-tridecylazanium?
The IUPAC name of dimethyl-pentyl-tridecylazanium (CID 160884159) is dimethyl-pentyl-tridecylazanium.
What is the SMILES notation for dimethyl-pentyl-tridecylazanium?
The canonical SMILES for dimethyl-pentyl-tridecylazanium is CCCCCCCCCCCCC[N+](C)(C)CCCCC.
What is the InChIKey of dimethyl-pentyl-tridecylazanium?
The InChIKey is SNKLVHGXYBUEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h5-20H2,1-4H3/q+1.
What are the key properties of dimethyl-pentyl-tridecylazanium?
dimethyl-pentyl-tridecylazanium has a molecular weight of 298.58 g/mol, XLogP of 6.56, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-pentyl-tridecylazanium is sourced from PubChem (CID 160884159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).