5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole

C9H18N2 — CID 143329303

IUPAC5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole
SMILESCN1C=C(CC(C)(C)C)NC1
InChIInChI=1S/C9H18N2/c1-9(2,3)5-8-6-11(4)7-10-8/h6,10H,5,7H2,1-4H3
InChIKeyDHMVDWBTQKTGMK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole

5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole (PubChem CID 143329303) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole
PubChem CID143329303
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole
SMILESCN1C=C(CC(C)(C)C)NC1
InChIInChI=1S/C9H18N2/c1-9(2,3)5-8-6-11(4)7-10-8/h6,10H,5,7H2,1-4H3
InChIKeyDHMVDWBTQKTGMK-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole (CID 143329303) is 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole is CN1C=C(CC(C)(C)C)NC1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole?
The InChIKey is DHMVDWBTQKTGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,3)5-8-6-11(4)7-10-8/h6,10H,5,7H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole?
5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 143329303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).