dimethyl-(7-methylnonyl)-octylazanium

C20H44N+ — CID 19369141

IUPACdimethyl-(7-methylnonyl)-octylazanium
SMILESCCCCCCCC[N+](C)(C)CCCCCCC(C)CC
InChIInChI=1S/C20H44N/c1-6-8-9-10-12-15-18-21(4,5)19-16-13-11-14-17-20(3)7-2/h20H,6-19H2,1-5H3/q+1
InChIKeySNCYEIBIEWPJCJ-UHFFFAOYSA-N
MW298.58 g/mol
LogP6.42
Rot. Bonds15

About dimethyl-(7-methylnonyl)-octylazanium

dimethyl-(7-methylnonyl)-octylazanium (PubChem CID 19369141) has the molecular formula C20H44N+ and a molecular weight of 298.58 g/mol. Its IUPAC name is dimethyl-(7-methylnonyl)-octylazanium.

Molecular Properties

Compound Namedimethyl-(7-methylnonyl)-octylazanium
PubChem CID19369141
Molecular FormulaC20H44N+
Molecular Weight298.58 g/mol
Exact Mass298.35
IUPAC Namedimethyl-(7-methylnonyl)-octylazanium
SMILESCCCCCCCC[N+](C)(C)CCCCCCC(C)CC
InChIInChI=1S/C20H44N/c1-6-8-9-10-12-15-18-21(4,5)19-16-13-11-14-17-20(3)7-2/h20H,6-19H2,1-5H3/q+1
InChIKeySNCYEIBIEWPJCJ-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.58
LogP ≤ 56.42
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

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CID 75991
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Dodecylhexadecyltrimonium Chloride
CID 21917627
1-Octanamine, 7-methyl-N,N-bis(7-methyloctyl)-
CID 87508
Decyltetradecylamine oxide
CID 11014808
Isostearyl laurdimonium chloride
CID 22352662
1-Ethyl-3-(2-methylbutyl)piperidine
CID 3016925
2-Ethyl-N,N-dimethylhexylamine
CID 119633
Triisodecylamine
CID 118865
Cyverine Hydrochloride
CID 23617028

Frequently Asked Questions

What is the IUPAC name of dimethyl-(7-methylnonyl)-octylazanium?
The IUPAC name of dimethyl-(7-methylnonyl)-octylazanium (CID 19369141) is dimethyl-(7-methylnonyl)-octylazanium.
What is the SMILES notation for dimethyl-(7-methylnonyl)-octylazanium?
The canonical SMILES for dimethyl-(7-methylnonyl)-octylazanium is CCCCCCCC[N+](C)(C)CCCCCCC(C)CC.
What is the InChIKey of dimethyl-(7-methylnonyl)-octylazanium?
The InChIKey is SNCYEIBIEWPJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N/c1-6-8-9-10-12-15-18-21(4,5)19-16-13-11-14-17-20(3)7-2/h20H,6-19H2,1-5H3/q+1.
What are the key properties of dimethyl-(7-methylnonyl)-octylazanium?
dimethyl-(7-methylnonyl)-octylazanium has a molecular weight of 298.58 g/mol, XLogP of 6.42, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(7-methylnonyl)-octylazanium is sourced from PubChem (CID 19369141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).