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

C11H20N4O — CID 119892665

IUPAC3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
SMILESCC(C)Cn1ccnc1CNC(=O)CCN
InChIInChI=1S/C11H20N4O/c1-9(2)8-15-6-5-13-10(15)7-14-11(16)3-4-12/h5-6,9H,3-4,7-8,12H2,1-2H3,(H,14,16)
InChIKeyHCPZRCCVPKATLX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.50
Rot. Bonds6

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

3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide (PubChem CID 119892665) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
PubChem CID119892665
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
SMILESCC(C)Cn1ccnc1CNC(=O)CCN
InChIInChI=1S/C11H20N4O/c1-9(2)8-15-6-5-13-10(15)7-14-11(16)3-4-12/h5-6,9H,3-4,7-8,12H2,1-2H3,(H,14,16)
InChIKeyHCPZRCCVPKATLX-UHFFFAOYSA-N
XLogP0.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide (CID 119892665) is 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide is CC(C)Cn1ccnc1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide?
The InChIKey is HCPZRCCVPKATLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)8-15-6-5-13-10(15)7-14-11(16)3-4-12/h5-6,9H,3-4,7-8,12H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide?
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 119892665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).