heptyl-dimethyl-undecylazanium

C20H44N+ — CID 122480849

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

About heptyl-dimethyl-undecylazanium

heptyl-dimethyl-undecylazanium (PubChem CID 122480849) has the molecular formula C20H44N+ and a molecular weight of 298.58 g/mol. Its IUPAC name is heptyl-dimethyl-undecylazanium.

Molecular Properties

Compound Nameheptyl-dimethyl-undecylazanium
PubChem CID122480849
Molecular FormulaC20H44N+
Molecular Weight298.58 g/mol
Exact Mass298.35
IUPAC Nameheptyl-dimethyl-undecylazanium
SMILESCCCCCCCCCCC[N+](C)(C)CCCCCCC
InChIInChI=1S/C20H44N/c1-5-7-9-11-12-13-14-16-18-20-21(3,4)19-17-15-10-8-6-2/h5-20H2,1-4H3/q+1
InChIKeyUEYNLJDXOYUJLZ-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
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
dimethyl-pentyl-tridecylazanium
CID 160884159
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 heptyl-dimethyl-undecylazanium?
The IUPAC name of heptyl-dimethyl-undecylazanium (CID 122480849) is heptyl-dimethyl-undecylazanium.
What is the SMILES notation for heptyl-dimethyl-undecylazanium?
The canonical SMILES for heptyl-dimethyl-undecylazanium is CCCCCCCCCCC[N+](C)(C)CCCCCCC.
What is the InChIKey of heptyl-dimethyl-undecylazanium?
The InChIKey is UEYNLJDXOYUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N/c1-5-7-9-11-12-13-14-16-18-20-21(3,4)19-17-15-10-8-6-2/h5-20H2,1-4H3/q+1.
What are the key properties of heptyl-dimethyl-undecylazanium?
heptyl-dimethyl-undecylazanium 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 heptyl-dimethyl-undecylazanium is sourced from PubChem (CID 122480849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).