2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide

C14H26N4O — CID 107444292

IUPAC2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide
SMILESCC(C)C(CN)c1cncn1CC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)11(6-15)12-7-16-9-18(12)8-13(19)17-14(3,4)5/h7,9-11H,6,8,15H2,1-5H3,(H,17,19)
InChIKeyXJIMRLPGDICWRJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.50
Rot. Bonds5

About 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide

2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide (PubChem CID 107444292) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide
PubChem CID107444292
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide
SMILESCC(C)C(CN)c1cncn1CC(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)11(6-15)12-7-16-9-18(12)8-13(19)17-14(3,4)5/h7,9-11H,6,8,15H2,1-5H3,(H,17,19)
InChIKeyXJIMRLPGDICWRJ-UHFFFAOYSA-N
XLogP1.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide
CID 114707206
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide
CID 107444118
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide
CID 46980269
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 106422452
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide (CID 107444292) is 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide is CC(C)C(CN)c1cncn1CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide?
The InChIKey is XJIMRLPGDICWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)11(6-15)12-7-16-9-18(12)8-13(19)17-14(3,4)5/h7,9-11H,6,8,15H2,1-5H3,(H,17,19).
What are the key properties of 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide?
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide has a molecular weight of 266.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 107444292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).