2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide

C12H22N4O — CID 70079594

IUPAC2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide
SMILESCCCCn1c(CC(=O)NC)nc(C)c1CN
InChIInChI=1S/C12H22N4O/c1-4-5-6-16-10(8-13)9(2)15-11(16)7-12(17)14-3/h4-8,13H2,1-3H3,(H,14,17)
InChIKeyXOTLXXQJVBXVIL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.74
Rot. Bonds6

About 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide

2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide (PubChem CID 70079594) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide
PubChem CID70079594
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide
SMILESCCCCn1c(CC(=O)NC)nc(C)c1CN
InChIInChI=1S/C12H22N4O/c1-4-5-6-16-10(8-13)9(2)15-11(16)7-12(17)14-3/h4-8,13H2,1-3H3,(H,14,17)
InChIKeyXOTLXXQJVBXVIL-UHFFFAOYSA-N
XLogP0.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(3S)-3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633411
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 70079845
N,1,2,5-tetramethylimidazole-4-carboxamide
CID 14148182
N-hexyl-1,4,5-trimethylimidazole-2-carboxamide
CID 162398071
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
2-methyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-1,4-diazepan-5-one
CID 50956336
N,N-dimethyl-2-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}propanamide
CID 50982626
1-t-Butylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224503
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224543
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-azidomethylimidazole
CID 21224553
1-t-Butylaminocarbonylmethyl-4-methyl-5-azidomethylimidazole
CID 21224560

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide (CID 70079594) is 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide is CCCCn1c(CC(=O)NC)nc(C)c1CN.
What is the InChIKey of 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide?
The InChIKey is XOTLXXQJVBXVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-6-16-10(8-13)9(2)15-11(16)7-12(17)14-3/h4-8,13H2,1-3H3,(H,14,17).
What are the key properties of 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide?
2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide has a molecular weight of 238.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1-butyl-4-methylimidazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 70079594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).