3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide

C12H22N4O — CID 102969836

IUPAC3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1cncc1C(N)C(C)C
InChIInChI=1S/C12H22N4O/c1-4-15-11(17)5-6-16-8-14-7-10(16)12(13)9(2)3/h7-9,12H,4-6,13H2,1-3H3,(H,15,17)
InChIKeyJLHLYSNANYLQCU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.07
Rot. Bonds6

About 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide

3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide (PubChem CID 102969836) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide
PubChem CID102969836
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1cncc1C(N)C(C)C
InChIInChI=1S/C12H22N4O/c1-4-15-11(17)5-6-16-8-14-7-10(16)12(13)9(2)3/h7-9,12H,4-6,13H2,1-3H3,(H,15,17)
InChIKeyJLHLYSNANYLQCU-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
CID 102969533
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-butan-2-ylpropanamide
CID 104942629
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
CID 114705066
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
CID 102969725
2-methyl-1-[3-(5-methylsulfanylpentyl)imidazol-4-yl]propan-1-amine
CID 114128184
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide
CID 114707206
2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
CID 114174001
3-(5-propan-2-ylimidazol-1-yl)propanoic acid
CID 82512164
3-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-N,N-dimethylpropanamide
CID 104942518
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide (CID 102969836) is 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide is CCNC(=O)CCn1cncc1C(N)C(C)C.
What is the InChIKey of 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide?
The InChIKey is JLHLYSNANYLQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-15-11(17)5-6-16-8-14-7-10(16)12(13)9(2)3/h7-9,12H,4-6,13H2,1-3H3,(H,15,17).
What are the key properties of 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide?
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 102969836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).