3-(5-methylnonan-4-yl)-1H-imidazol-3-ium

C13H25N2+ — CID 66963221

IUPAC3-(5-methylnonan-4-yl)-1H-imidazol-3-ium
SMILESCCCCC(C)C(CCC)[n+]1cc[nH]c1
InChIInChI=1S/C13H24N2/c1-4-6-8-12(3)13(7-5-2)15-10-9-14-11-15/h9-13H,4-8H2,1-3H3/p+1
InChIKeyNVLUVWKMEXDWJN-UHFFFAOYSA-O
MW209.36 g/mol
LogP3.47
Rot. Bonds7

About 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium

3-(5-methylnonan-4-yl)-1H-imidazol-3-ium (PubChem CID 66963221) has the molecular formula C13H25N2+ and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium.

Molecular Properties

Compound Name3-(5-methylnonan-4-yl)-1H-imidazol-3-ium
PubChem CID66963221
Molecular FormulaC13H25N2+
Molecular Weight209.36 g/mol
Exact Mass209.20
IUPAC Name3-(5-methylnonan-4-yl)-1H-imidazol-3-ium
SMILESCCCCC(C)C(CCC)[n+]1cc[nH]c1
InChIInChI=1S/C13H24N2/c1-4-6-8-12(3)13(7-5-2)15-10-9-14-11-15/h9-13H,4-8H2,1-3H3/p+1
InChIKeyNVLUVWKMEXDWJN-UHFFFAOYSA-O
XLogP3.47
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-1-phenyltridecan-4-yl)-1H-imidazol-3-ium
CID 69078057
3-octan-2-yl-1H-imidazol-3-ium
CID 66724305
3-(2-methyloctan-4-yl)-1H-imidazol-3-ium tetrafluoroborate
CID 175301777
3-(4-benzyltetradecan-5-yl)-1H-imidazol-3-ium
CID 151912332
3-(7-methyloctan-2-yl)-1H-imidazol-3-ium
CID 87992028
3-(10-benzylhexacosan-9-yl)-1H-imidazol-3-ium
CID 151815058
3-(11-benzyldocosan-10-yl)-1H-imidazol-3-ium
CID 150805844
3-(10-benzylhexacosan-11-yl)-1H-imidazol-3-ium
CID 151316940
3-(19-benzyloctatriacontan-18-yl)-1H-imidazol-3-ium
CID 151659569
3-(9-benzyldocosan-10-yl)-1H-imidazol-3-ium
CID 150226273
3-(4-benzyloctadecan-3-yl)-1H-imidazol-3-ium
CID 150745893
3-(4-benzylhenicosan-3-yl)-1H-imidazol-3-ium
CID 151879177

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium?
The IUPAC name of 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium (CID 66963221) is 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium.
What is the SMILES notation for 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium?
The canonical SMILES for 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium is CCCCC(C)C(CCC)[n+]1cc[nH]c1.
What is the InChIKey of 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium?
The InChIKey is NVLUVWKMEXDWJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24N2/c1-4-6-8-12(3)13(7-5-2)15-10-9-14-11-15/h9-13H,4-8H2,1-3H3/p+1.
What are the key properties of 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium?
3-(5-methylnonan-4-yl)-1H-imidazol-3-ium has a molecular weight of 209.36 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylnonan-4-yl)-1H-imidazol-3-ium is sourced from PubChem (CID 66963221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).