2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide

C12H22N4O — CID 21224543

IUPAC2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ncn(CC(=O)NCC(C)(C)C)c1CN
InChIInChI=1S/C12H22N4O/c1-9-10(5-13)16(8-15-9)6-11(17)14-7-12(2,3)4/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyZPTADRKMEROTMZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.81
Rot. Bonds4

About 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide

2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 21224543) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID21224543
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ncn(CC(=O)NCC(C)(C)C)c1CN
InChIInChI=1S/C12H22N4O/c1-9-10(5-13)16(8-15-9)6-11(17)14-7-12(2,3)4/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyZPTADRKMEROTMZ-UHFFFAOYSA-N
XLogP0.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
CID 74248778
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1-isobutyl-1H-imidazol-5-yl)methyl]glycinamide
CID 91783805
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-4,4,4-trifluorobutanamide
CID 21224533
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
N-hexyl-1,4,5-trimethylimidazole-2-carboxamide
CID 162398071
2,2,2-trifluoro-1-[4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 91837009
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide (CID 21224543) is 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide is Cc1ncn(CC(=O)NCC(C)(C)C)c1CN.
What is the InChIKey of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is ZPTADRKMEROTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-10(5-13)16(8-15-9)6-11(17)14-7-12(2,3)4/h8H,5-7,13H2,1-4H3,(H,14,17).
What are the key properties of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 21224543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).