trimethyl-(1-octylimidazol-4-yl)azanium

C14H28N3+ — CID 174760325

IUPACtrimethyl-(1-octylimidazol-4-yl)azanium
SMILESCCCCCCCCn1cnc([N+](C)(C)C)c1
InChIInChI=1S/C14H28N3/c1-5-6-7-8-9-10-11-16-12-14(15-13-16)17(2,3)4/h12-13H,5-11H2,1-4H3/q+1
InChIKeyCFQNIPWUTDVLTC-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.44
Rot. Bonds8

About trimethyl-(1-octylimidazol-4-yl)azanium

trimethyl-(1-octylimidazol-4-yl)azanium (PubChem CID 174760325) has the molecular formula C14H28N3+ and a molecular weight of 238.40 g/mol. Its IUPAC name is trimethyl-(1-octylimidazol-4-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(1-octylimidazol-4-yl)azanium
PubChem CID174760325
Molecular FormulaC14H28N3+
Molecular Weight238.40 g/mol
Exact Mass238.23
IUPAC Nametrimethyl-(1-octylimidazol-4-yl)azanium
SMILESCCCCCCCCn1cnc([N+](C)(C)C)c1
InChIInChI=1S/C14H28N3/c1-5-6-7-8-9-10-11-16-12-14(15-13-16)17(2,3)4/h12-13H,5-11H2,1-4H3/q+1
InChIKeyCFQNIPWUTDVLTC-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(1-ethylimidazol-4-yl)-trimethylazanium
CID 174680519
1-dodecylimidazol-4-amine
CID 10848375
ethane;4-ethyl-1-pentylimidazole
CID 142090904
(1-pentylimidazol-4-yl)methanol
CID 11147952
1-hexyl-4-nitroimidazole
CID 26793694
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
(1-butylimidazol-4-yl)methanamine
CID 82467842
1-hexyl-3,4-dimethylpyrrole
CID 11252331
1-butyl-4-(2-chlorophenyl)imidazole
CID 174588964
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
1-butyl-4-methylimidazole tetrafluoroborate
CID 174714624
1-heptadecylpyrrole
CID 23344128

Frequently Asked Questions

What is the IUPAC name of trimethyl-(1-octylimidazol-4-yl)azanium?
The IUPAC name of trimethyl-(1-octylimidazol-4-yl)azanium (CID 174760325) is trimethyl-(1-octylimidazol-4-yl)azanium.
What is the SMILES notation for trimethyl-(1-octylimidazol-4-yl)azanium?
The canonical SMILES for trimethyl-(1-octylimidazol-4-yl)azanium is CCCCCCCCn1cnc([N+](C)(C)C)c1.
What is the InChIKey of trimethyl-(1-octylimidazol-4-yl)azanium?
The InChIKey is CFQNIPWUTDVLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N3/c1-5-6-7-8-9-10-11-16-12-14(15-13-16)17(2,3)4/h12-13H,5-11H2,1-4H3/q+1.
What are the key properties of trimethyl-(1-octylimidazol-4-yl)azanium?
trimethyl-(1-octylimidazol-4-yl)azanium has a molecular weight of 238.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1-octylimidazol-4-yl)azanium is sourced from PubChem (CID 174760325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).