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

C10H18N4O — CID 102969533

IUPAC3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
SMILESCC(C)C(N)c1cncn1CCC(N)=O
InChIInChI=1S/C10H18N4O/c1-7(2)10(12)8-5-13-6-14(8)4-3-9(11)15/h5-7,10H,3-4,12H2,1-2H3,(H2,11,15)
InChIKeyDHLKBQZRFDGOMQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.41
Rot. Bonds5

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

3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide (PubChem CID 102969533) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
PubChem CID102969533
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
SMILESCC(C)C(N)c1cncn1CCC(N)=O
InChIInChI=1S/C10H18N4O/c1-7(2)10(12)8-5-13-6-14(8)4-3-9(11)15/h5-7,10H,3-4,12H2,1-2H3,(H2,11,15)
InChIKeyDHLKBQZRFDGOMQ-UHFFFAOYSA-N
XLogP0.41
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide?
The IUPAC name of 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide (CID 102969533) is 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide.
What is the SMILES notation for 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide?
The canonical SMILES for 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide is CC(C)C(N)c1cncn1CCC(N)=O.
What is the InChIKey of 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide?
The InChIKey is DHLKBQZRFDGOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)10(12)8-5-13-6-14(8)4-3-9(11)15/h5-7,10H,3-4,12H2,1-2H3,(H2,11,15).
What are the key properties of 3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide?
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.41, 5 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]propanamide is sourced from PubChem (CID 102969533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).