5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine

C14H27N3 — CID 62219623

IUPAC5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine
SMILESCCC(C)c1nc(C(C)C)n(C(C)(C)C)c1N
InChIInChI=1S/C14H27N3/c1-8-10(4)11-12(15)17(14(5,6)7)13(16-11)9(2)3/h9-10H,8,15H2,1-7H3
InChIKeyQUCAWSQIKWPPPK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.86
Rot. Bonds3

About 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine

5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine (PubChem CID 62219623) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine
PubChem CID62219623
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine
SMILESCCC(C)c1nc(C(C)C)n(C(C)(C)C)c1N
InChIInChI=1S/C14H27N3/c1-8-10(4)11-12(15)17(14(5,6)7)13(16-11)9(2)3/h9-10H,8,15H2,1-7H3
InChIKeyQUCAWSQIKWPPPK-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pentan-2-yl-2-propan-2-ylimidazole-1,5-diamine
CID 62507108
5-butan-2-yl-2-methyl-3-propan-2-ylimidazol-4-amine
CID 62226713
3-tert-butyl-2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
CID 66131918
3-tert-butyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 66119138
2,5-di(propan-2-yl)-3-propylimidazol-4-amine
CID 62219610
5-butan-2-yl-2-cyclopropyl-3-propylimidazol-4-amine
CID 62220557
3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine
CID 62218283
6-bromo-2-butan-2-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83171128
6-[(2R)-butan-2-yl]-5-methylpyrazin-2-amine
CID 167607500
4-butan-2-yl-5-chloro-1,3-thiazol-2-amine
CID 142119110
5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile
CID 165380889
2-propan-2-yl-4-propylimidazole-1,5-diamine
CID 62506447

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine (CID 62219623) is 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine is CCC(C)c1nc(C(C)C)n(C(C)(C)C)c1N.
What is the InChIKey of 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is QUCAWSQIKWPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-8-10(4)11-12(15)17(14(5,6)7)13(16-11)9(2)3/h9-10H,8,15H2,1-7H3.
What are the key properties of 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine?
5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-tert-butyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62219623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).