3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine

C16H27N5 — CID 66131918

IUPAC3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2cncn2C(C)C)c(N)n1C(C)(C)C
InChIInChI=1S/C16H27N5/c1-10(2)15-19-13(14(17)21(15)16(5,6)7)12-8-18-9-20(12)11(3)4/h8-11H,17H2,1-7H3
InChIKeyQQEVHLIUBCKONS-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.79
Rot. Bonds3

About 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine

3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine (PubChem CID 66131918) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
PubChem CID66131918
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2cncn2C(C)C)c(N)n1C(C)(C)C
InChIInChI=1S/C16H27N5/c1-10(2)15-19-13(14(17)21(15)16(5,6)7)12-8-18-9-20(12)11(3)4/h8-11H,17H2,1-7H3
InChIKeyQQEVHLIUBCKONS-UHFFFAOYSA-N
XLogP3.79
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 66119138
2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 66130315
3-ethyl-2-methyl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
CID 66131321
2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
CID 66131524
3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 66118522
2-(3-propan-2-ylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 66164158
5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine
CID 62219623
3-tert-butyl-2-ethyl-5-(3-ethylimidazol-4-yl)imidazol-4-amine
CID 66134443
N-methyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine
CID 112559230
3-tert-butyl-2-cyclopropyl-5-(3-methylimidazol-4-yl)imidazol-4-amine
CID 66116831
4-(3-propan-2-ylimidazol-4-yl)-2-propyl-1,3-thiazol-5-amine
CID 66132316
4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 66163524

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine (CID 66131918) is 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine is CC(C)c1nc(-c2cncn2C(C)C)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
The InChIKey is QQEVHLIUBCKONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-10(2)15-19-13(14(17)21(15)16(5,6)7)12-8-18-9-20(12)11(3)4/h8-11H,17H2,1-7H3.
What are the key properties of 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine?
3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine has a molecular weight of 289.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66131918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).