3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide

C12H22N4O — CID 114705066

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

About 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide

3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide (PubChem CID 114705066) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
PubChem CID114705066
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1cncc1C(N)CC(C)C
InChIInChI=1S/C12H22N4O/c1-9(2)6-10(13)11-7-15-8-16(11)5-4-12(17)14-3/h7-10H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyXGQDAUIVLBSBPM-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-3-methylbutyl)imidazol-1-yl]-N-tert-butylpropanamide
CID 114707206
3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
CID 114707663
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707362
3-methyl-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]butan-1-amine
CID 114706133
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide
CID 102969836
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-N-butan-2-ylpropanamide
CID 104942629
3-[5-(chloromethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150216
3-(5-formylimidazol-1-yl)-N-methylpropanamide
CID 66146791
1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706506
N-methyl-3-(5-phenylimidazol-1-yl)propanamide
CID 58294227

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide (CID 114705066) is 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1cncc1C(N)CC(C)C.
What is the InChIKey of 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide?
The InChIKey is XGQDAUIVLBSBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)6-10(13)11-7-15-8-16(11)5-4-12(17)14-3/h7-10H,4-6,13H2,1-3H3,(H,14,17).
What are the key properties of 3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide?
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide 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-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 114705066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).