1-(5,5-dimethylhexyl)-2-methylimidazole

C12H22N2 — CID 168848889

IUPAC1-(5,5-dimethylhexyl)-2-methylimidazole
SMILESCc1nccn1CCCCC(C)(C)C
InChIInChI=1S/C12H22N2/c1-11-13-8-10-14(11)9-6-5-7-12(2,3)4/h8,10H,5-7,9H2,1-4H3
InChIKeyLZOUFZXQVVVIGD-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.41
Rot. Bonds4

About 1-(5,5-dimethylhexyl)-2-methylimidazole

1-(5,5-dimethylhexyl)-2-methylimidazole (PubChem CID 168848889) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(5,5-dimethylhexyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(5,5-dimethylhexyl)-2-methylimidazole
PubChem CID168848889
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(5,5-dimethylhexyl)-2-methylimidazole
SMILESCc1nccn1CCCCC(C)(C)C
InChIInChI=1S/C12H22N2/c1-11-13-8-10-14(11)9-6-5-7-12(2,3)4/h8,10H,5-7,9H2,1-4H3
InChIKeyLZOUFZXQVVVIGD-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.41
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-hydroxy-5-(2-methylimidazol-1-yl)-1-phosphonopentyl]phosphonic acid
CID 123747026
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
CID 112687525

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexyl)-2-methylimidazole?
The IUPAC name of 1-(5,5-dimethylhexyl)-2-methylimidazole (CID 168848889) is 1-(5,5-dimethylhexyl)-2-methylimidazole.
What is the SMILES notation for 1-(5,5-dimethylhexyl)-2-methylimidazole?
The canonical SMILES for 1-(5,5-dimethylhexyl)-2-methylimidazole is Cc1nccn1CCCCC(C)(C)C.
What is the InChIKey of 1-(5,5-dimethylhexyl)-2-methylimidazole?
The InChIKey is LZOUFZXQVVVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11-13-8-10-14(11)9-6-5-7-12(2,3)4/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 1-(5,5-dimethylhexyl)-2-methylimidazole?
1-(5,5-dimethylhexyl)-2-methylimidazole has a molecular weight of 194.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexyl)-2-methylimidazole is sourced from PubChem (CID 168848889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).