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

C9H20N2 — CID 159687710

IUPAC1-tert-butyl-4,5-dihydroimidazole;ethane
SMILESCC.CC(C)(C)N1C=NCC1
InChIInChI=1S/C7H14N2.C2H6/c1-7(2,3)9-5-4-8-6-9;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyMVZZBMCXEUUUFH-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.15
Rot. Bonds

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

1-tert-butyl-4,5-dihydroimidazole;ethane (PubChem CID 159687710) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-tert-butyl-4,5-dihydroimidazole;ethane.

Molecular Properties

Compound Name1-tert-butyl-4,5-dihydroimidazole;ethane
PubChem CID159687710
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-tert-butyl-4,5-dihydroimidazole;ethane
SMILESCC.CC(C)(C)N1C=NCC1
InChIInChI=1S/C7H14N2.C2H6/c1-7(2,3)9-5-4-8-6-9;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyMVZZBMCXEUUUFH-UHFFFAOYSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,5-dihydroimidazole;ethane?
The IUPAC name of 1-tert-butyl-4,5-dihydroimidazole;ethane (CID 159687710) is 1-tert-butyl-4,5-dihydroimidazole;ethane.
What is the SMILES notation for 1-tert-butyl-4,5-dihydroimidazole;ethane?
The canonical SMILES for 1-tert-butyl-4,5-dihydroimidazole;ethane is CC.CC(C)(C)N1C=NCC1.
What is the InChIKey of 1-tert-butyl-4,5-dihydroimidazole;ethane?
The InChIKey is MVZZBMCXEUUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-7(2,3)9-5-4-8-6-9;1-2/h6H,4-5H2,1-3H3;1-2H3.
What are the key properties of 1-tert-butyl-4,5-dihydroimidazole;ethane?
1-tert-butyl-4,5-dihydroimidazole;ethane has a molecular weight of 156.27 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,5-dihydroimidazole;ethane is sourced from PubChem (CID 159687710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).