2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole

C10H20N2 — CID 59021741

IUPAC2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole
SMILESCN1CCN=C1CCC(C)(C)C
InChIInChI=1S/C10H20N2/c1-10(2,3)6-5-9-11-7-8-12(9)4/h5-8H2,1-4H3
InChIKeyJQGIALDTVYSMLD-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.16
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole

2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole (PubChem CID 59021741) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole
PubChem CID59021741
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole
SMILESCN1CCN=C1CCC(C)(C)C
InChIInChI=1S/C10H20N2/c1-10(2,3)6-5-9-11-7-8-12(9)4/h5-8H2,1-4H3
InChIKeyJQGIALDTVYSMLD-UHFFFAOYSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole (CID 59021741) is 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole is CN1CCN=C1CCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole?
The InChIKey is JQGIALDTVYSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2,3)6-5-9-11-7-8-12(9)4/h5-8H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole?
2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole has a molecular weight of 168.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 59021741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).