2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane

C12H28N2 — CID 161110761

IUPAC2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane
SMILESCC.CC.CN1CCN=C1C(C)(C)C
InChIInChI=1S/C8H16N2.2C2H6/c1-8(2,3)7-9-5-6-10(7)4;2*1-2/h5-6H2,1-4H3;2*1-2H3
InChIKeyUJQSVODNFGEFIN-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.43
Rot. Bonds

About 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane

2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane (PubChem CID 161110761) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane
PubChem CID161110761
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane
SMILESCC.CC.CN1CCN=C1C(C)(C)C
InChIInChI=1S/C8H16N2.2C2H6/c1-8(2,3)7-9-5-6-10(7)4;2*1-2/h5-6H2,1-4H3;2*1-2H3
InChIKeyUJQSVODNFGEFIN-UHFFFAOYSA-N
XLogP3.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane?
The IUPAC name of 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane (CID 161110761) is 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane.
What is the SMILES notation for 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane?
The canonical SMILES for 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane is CC.CC.CN1CCN=C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane?
The InChIKey is UJQSVODNFGEFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2C2H6/c1-8(2,3)7-9-5-6-10(7)4;2*1-2/h5-6H2,1-4H3;2*1-2H3.
What are the key properties of 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane?
2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane has a molecular weight of 200.37 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-4,5-dihydroimidazole;ethane is sourced from PubChem (CID 161110761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).