1-decyl-4,5-dimethylimidazole

C15H28N2 — CID 116621792

IUPAC1-decyl-4,5-dimethylimidazole
SMILESCCCCCCCCCCn1cnc(C)c1C
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-9-10-11-12-17-13-16-14(2)15(17)3/h13H,4-12H2,1-3H3
InChIKeyMEJDPZRJDYISAX-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.64
Rot. Bonds9

About 1-decyl-4,5-dimethylimidazole

1-decyl-4,5-dimethylimidazole (PubChem CID 116621792) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-decyl-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-decyl-4,5-dimethylimidazole
PubChem CID116621792
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-decyl-4,5-dimethylimidazole
SMILESCCCCCCCCCCn1cnc(C)c1C
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-9-10-11-12-17-13-16-14(2)15(17)3/h13H,4-12H2,1-3H3
InChIKeyMEJDPZRJDYISAX-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4,5-dimethylimidazole
CID 18671206
1-(5-chloropentyl)-4,5-dimethylimidazole
CID 62349844
1-(4-chlorobutyl)-4,5-dimethylimidazole
CID 62349846
4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine
CID 62442961
1-(3-bromopropyl)-4,5-dimethylimidazole
CID 62352321
3-(4,5-dimethylimidazol-1-yl)-N-ethylpropan-1-amine
CID 62351281
4-(4,5-dimethylimidazol-1-yl)butanenitrile
CID 62350743
6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
CID 62350906
6-(4,5-dimethylimidazol-1-yl)-2,2-dimethylhexan-1-amine
CID 106708391
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
4-(4,5-dimethylimidazol-1-yl)butanehydrazide
CID 63577264
1-(2-methoxyethyl)-4,5-dimethylimidazole
CID 54406098

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4,5-dimethylimidazole?
The IUPAC name of 1-decyl-4,5-dimethylimidazole (CID 116621792) is 1-decyl-4,5-dimethylimidazole.
What is the SMILES notation for 1-decyl-4,5-dimethylimidazole?
The canonical SMILES for 1-decyl-4,5-dimethylimidazole is CCCCCCCCCCn1cnc(C)c1C.
What is the InChIKey of 1-decyl-4,5-dimethylimidazole?
The InChIKey is MEJDPZRJDYISAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-5-6-7-8-9-10-11-12-17-13-16-14(2)15(17)3/h13H,4-12H2,1-3H3.
What are the key properties of 1-decyl-4,5-dimethylimidazole?
1-decyl-4,5-dimethylimidazole has a molecular weight of 236.40 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4,5-dimethylimidazole is sourced from PubChem (CID 116621792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).