1-(3,3-dimethylhexyl)imidazole

C11H20N2 — CID 144603269

IUPAC1-(3,3-dimethylhexyl)imidazole
SMILESCCCC(C)(C)CCn1ccnc1
InChIInChI=1S/C11H20N2/c1-4-5-11(2,3)6-8-13-9-7-12-10-13/h7,9-10H,4-6,8H2,1-3H3
InChIKeyRSSFCUGRJBLWGJ-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.10
Rot. Bonds5

About 1-(3,3-dimethylhexyl)imidazole

1-(3,3-dimethylhexyl)imidazole (PubChem CID 144603269) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(3,3-dimethylhexyl)imidazole.

Molecular Properties

Compound Name1-(3,3-dimethylhexyl)imidazole
PubChem CID144603269
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(3,3-dimethylhexyl)imidazole
SMILESCCCC(C)(C)CCn1ccnc1
InChIInChI=1S/C11H20N2/c1-4-5-11(2,3)6-8-13-9-7-12-10-13/h7,9-10H,4-6,8H2,1-3H3
InChIKeyRSSFCUGRJBLWGJ-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylhexyl)imidazole?
The IUPAC name of 1-(3,3-dimethylhexyl)imidazole (CID 144603269) is 1-(3,3-dimethylhexyl)imidazole.
What is the SMILES notation for 1-(3,3-dimethylhexyl)imidazole?
The canonical SMILES for 1-(3,3-dimethylhexyl)imidazole is CCCC(C)(C)CCn1ccnc1.
What is the InChIKey of 1-(3,3-dimethylhexyl)imidazole?
The InChIKey is RSSFCUGRJBLWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-11(2,3)6-8-13-9-7-12-10-13/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylhexyl)imidazole?
1-(3,3-dimethylhexyl)imidazole has a molecular weight of 180.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylhexyl)imidazole is sourced from PubChem (CID 144603269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).