3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide

C10H18N4O — CID 106278142

IUPAC3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
SMILESC[C@H](N)c1cncn1CC(C)(C)C(N)=O
InChIInChI=1S/C10H18N4O/c1-7(11)8-4-13-6-14(8)5-10(2,3)9(12)15/h4,6-7H,5,11H2,1-3H3,(H2,12,15)/t7-/m0/s1
InChIKeyAKRRDJAIJKYZQP-ZETCQYMHSA-N
MW210.28 g/mol
LogP0.41
Rot. Bonds4

About 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide

3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide (PubChem CID 106278142) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
PubChem CID106278142
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
SMILESC[C@H](N)c1cncn1CC(C)(C)C(N)=O
InChIInChI=1S/C10H18N4O/c1-7(11)8-4-13-6-14(8)5-10(2,3)9(12)15/h4,6-7H,5,11H2,1-3H3,(H2,12,15)/t7-/m0/s1
InChIKeyAKRRDJAIJKYZQP-ZETCQYMHSA-N
XLogP0.41
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114707509
(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine
CID 104985229
3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide
CID 106278183
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide
CID 104942518
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
CID 114707019
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
2,2-dimethyl-3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanamide
CID 106278172
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide (CID 106278142) is 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide is C[C@H](N)c1cncn1CC(C)(C)C(N)=O.
What is the InChIKey of 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide?
The InChIKey is AKRRDJAIJKYZQP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(11)8-4-13-6-14(8)5-10(2,3)9(12)15/h4,6-7H,5,11H2,1-3H3,(H2,12,15)/t7-/m0/s1.
What are the key properties of 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide?
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide has a molecular weight of 210.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 106278142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).