1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine

C11H23N3 — CID 79514063

IUPAC1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1C(C)(C)C
InChIInChI=1S/C11H23N3/c1-6-8(2)14-9(11(3,4)5)7-13-10(14)12/h8-9H,6-7H2,1-5H3,(H2,12,13)
InChIKeyKKOHFNBVSAQFKA-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.83
Rot. Bonds2

About 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine

1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine (PubChem CID 79514063) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine
PubChem CID79514063
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1C(C)(C)C
InChIInChI=1S/C11H23N3/c1-6-8(2)14-9(11(3,4)5)7-13-10(14)12/h8-9H,6-7H2,1-5H3,(H2,12,13)
InChIKeyKKOHFNBVSAQFKA-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine (CID 79514063) is 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1C(C)(C)C.
What is the InChIKey of 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KKOHFNBVSAQFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-8(2)14-9(11(3,4)5)7-13-10(14)12/h8-9H,6-7H2,1-5H3,(H2,12,13).
What are the key properties of 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine has a molecular weight of 197.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-tert-butyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).