2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide

C15H28N4O — CID 114707141

IUPAC2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1cncc1C(N)CC(C)C
InChIInChI=1S/C15H28N4O/c1-6-18(7-2)15(20)12(5)19-10-17-9-14(19)13(16)8-11(3)4/h9-13H,6-8,16H2,1-5H3
InChIKeyTWRYFNCDNKMWFA-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.36
Rot. Bonds7

About 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide

2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide (PubChem CID 114707141) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide
PubChem CID114707141
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1cncc1C(N)CC(C)C
InChIInChI=1S/C15H28N4O/c1-6-18(7-2)15(20)12(5)19-10-17-9-14(19)13(16)8-11(3)4/h9-13H,6-8,16H2,1-5H3
InChIKeyTWRYFNCDNKMWFA-UHFFFAOYSA-N
XLogP2.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide (CID 114707141) is 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)n1cncc1C(N)CC(C)C.
What is the InChIKey of 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide?
The InChIKey is TWRYFNCDNKMWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-18(7-2)15(20)12(5)19-10-17-9-14(19)13(16)8-11(3)4/h9-13H,6-8,16H2,1-5H3.
What are the key properties of 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide?
2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide has a molecular weight of 280.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 114707141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).