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

C10H18N4O — CID 62223381

IUPAC3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
SMILESCCNCc1nccn1CC(C)C(N)=O
InChIInChI=1S/C10H18N4O/c1-3-12-6-9-13-4-5-14(9)7-8(2)10(11)15/h4-5,8,12H,3,6-7H2,1-2H3,(H2,11,15)
InChIKeyWHCLVBCQFLVICW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.11
Rot. Bonds6

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

3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide (PubChem CID 62223381) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
PubChem CID62223381
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
SMILESCCNCc1nccn1CC(C)C(N)=O
InChIInChI=1S/C10H18N4O/c1-3-12-6-9-13-4-5-14(9)7-8(2)10(11)15/h4-5,8,12H,3,6-7H2,1-2H3,(H2,11,15)
InChIKeyWHCLVBCQFLVICW-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

Analyze 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 62222354
3-[(1-ethylimidazol-2-yl)methylamino]-2-hydroxypropanamide
CID 106171215
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 106718572
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62223227
N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 60812856
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665
3-[2-(4-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 54892813
4-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]butanamide
CID 119892667

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide (CID 62223381) is 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide is CCNCc1nccn1CC(C)C(N)=O.
What is the InChIKey of 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide?
The InChIKey is WHCLVBCQFLVICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-12-6-9-13-4-5-14(9)7-8(2)10(11)15/h4-5,8,12H,3,6-7H2,1-2H3,(H2,11,15).
What are the key properties of 3-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide?
3-[2-(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-[2-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 62223381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).