3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide

C15H28N4O — CID 114707206

IUPAC3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide
SMILESCC(C)CC(N)c1cncn1CCC(=O)NC(C)(C)C
InChIInChI=1S/C15H28N4O/c1-11(2)8-12(16)13-9-17-10-19(13)7-6-14(20)18-15(3,4)5/h9-12H,6-8,16H2,1-5H3,(H,18,20)
InChIKeyOYUZHMINZFVIGO-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.23
Rot. Bonds6

About 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide

3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide (PubChem CID 114707206) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide
PubChem CID114707206
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide
SMILESCC(C)CC(N)c1cncn1CCC(=O)NC(C)(C)C
InChIInChI=1S/C15H28N4O/c1-11(2)8-12(16)13-9-17-10-19(13)7-6-14(20)18-15(3,4)5/h9-12H,6-8,16H2,1-5H3,(H,18,20)
InChIKeyOYUZHMINZFVIGO-UHFFFAOYSA-N
XLogP2.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide?
The IUPAC name of 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide (CID 114707206) is 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide?
The canonical SMILES for 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide is CC(C)CC(N)c1cncn1CCC(=O)NC(C)(C)C.
What is the InChIKey of 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide?
The InChIKey is OYUZHMINZFVIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)8-12(16)13-9-17-10-19(13)7-6-14(20)18-15(3,4)5/h9-12H,6-8,16H2,1-5H3,(H,18,20).
What are the key properties of 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide?
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide has a molecular weight of 280.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide is sourced from PubChem (CID 114707206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).