3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide

C11H20N4O — CID 62742559

IUPAC3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cnc(C)[nH]1
InChIInChI=1S/C11H20N4O/c1-3-5-13-11(16)4-6-12-7-10-8-14-9(2)15-10/h8,12H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCSDRYDSRAOBUKK-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.72
Rot. Bonds7

About 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide

3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide (PubChem CID 62742559) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide
PubChem CID62742559
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cnc(C)[nH]1
InChIInChI=1S/C11H20N4O/c1-3-5-13-11(16)4-6-12-7-10-8-14-9(2)15-10/h8,12H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCSDRYDSRAOBUKK-UHFFFAOYSA-N
XLogP0.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propanamide
CID 62742182
methyl 4-[(2-methyl-1H-imidazol-5-yl)methylamino]butanoate
CID 62743472
2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
CID 62743615
5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 115606779
2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide
CID 110666460
N-propyl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103437737
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 103859407
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63108587
3-[(3-chloro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 106816742
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide (CID 62742559) is 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1cnc(C)[nH]1.
What is the InChIKey of 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide?
The InChIKey is CSDRYDSRAOBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-5-13-11(16)4-6-12-7-10-8-14-9(2)15-10/h8,12H,3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide?
3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide has a molecular weight of 224.31 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 62742559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).