3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide

C10H18N4O — CID 106718572

IUPAC3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
SMILESCCNCc1cn(CC(C)C(N)=O)cn1
InChIInChI=1S/C10H18N4O/c1-3-12-4-9-6-14(7-13-9)5-8(2)10(11)15/h6-8,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyMHXZYOWEYRIGLQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.11
Rot. Bonds6

About 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide

3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide (PubChem CID 106718572) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
PubChem CID106718572
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
SMILESCCNCc1cn(CC(C)C(N)=O)cn1
InChIInChI=1S/C10H18N4O/c1-3-12-4-9-6-14(7-13-9)5-8(2)10(11)15/h6-8,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyMHXZYOWEYRIGLQ-UHFFFAOYSA-N
XLogP0.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine
CID 106718676
1-(3-amino-2-methyl-3-oxopropyl)imidazole-4-sulfonyl chloride
CID 82912457
methyl 3-[4-(ethylaminomethyl)imidazol-1-yl]propanoate
CID 106718603
3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 62223381
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
CID 106718661
N-cyclopropyl-2-[4-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 106718782
5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide
CID 114281742
3-[4-(propylaminomethyl)imidazol-1-yl]propane-1,2-diol
CID 106719229
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718824
N-ethyl-2-[1-(2-methylbutyl)imidazol-4-yl]ethanamine
CID 79984937
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 106718863

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide (CID 106718572) is 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide is CCNCc1cn(CC(C)C(N)=O)cn1.
What is the InChIKey of 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide?
The InChIKey is MHXZYOWEYRIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-12-4-9-6-14(7-13-9)5-8(2)10(11)15/h6-8,12H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide?
3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide has a molecular weight of 210.28 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 106718572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).