2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide

C11H18N4O — CID 106720002

IUPAC2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cnc(CNC2CC2)c1
InChIInChI=1S/C11H18N4O/c1-2-10(11(12)16)15-6-9(14-7-15)5-13-8-3-4-8/h6-8,10,13H,2-5H2,1H3,(H2,12,16)
InChIKeyLXDZETDJEUGBPH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.57
Rot. Bonds6

About 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide

2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide (PubChem CID 106720002) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide
PubChem CID106720002
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide
SMILESCCC(C(N)=O)n1cnc(CNC2CC2)c1
InChIInChI=1S/C11H18N4O/c1-2-10(11(12)16)15-6-9(14-7-15)5-13-8-3-4-8/h6-8,10,13H,2-5H2,1H3,(H2,12,16)
InChIKeyLXDZETDJEUGBPH-UHFFFAOYSA-N
XLogP0.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanoic acid
CID 106719939
ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate
CID 106719963
ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]propanoate
CID 106719998
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
N-[[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114204681
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114204166
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine
CID 117191734
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide
CID 106719702
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
1,1-dioxo-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thian-4-amine
CID 64801230

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide (CID 106720002) is 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide is CCC(C(N)=O)n1cnc(CNC2CC2)c1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide?
The InChIKey is LXDZETDJEUGBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-10(11(12)16)15-6-9(14-7-15)5-13-8-3-4-8/h6-8,10,13H,2-5H2,1H3,(H2,12,16).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide?
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide has a molecular weight of 222.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]butanamide is sourced from PubChem (CID 106720002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).