2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide

C11H18N4O — CID 106719907

IUPAC2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc(CNC2CC2)c1
InChIInChI=1S/C11H18N4O/c1-14(2)11(16)7-15-6-10(13-8-15)5-12-9-3-4-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyPIWUHGGROUKGGY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.22
Rot. Bonds5

About 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide

2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide (PubChem CID 106719907) 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]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
PubChem CID106719907
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc(CNC2CC2)c1
InChIInChI=1S/C11H18N4O/c1-14(2)11(16)7-15-6-10(13-8-15)5-12-9-3-4-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyPIWUHGGROUKGGY-UHFFFAOYSA-N
XLogP0.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide (CID 106719907) is 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cnc(CNC2CC2)c1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is PIWUHGGROUKGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14(2)11(16)7-15-6-10(13-8-15)5-12-9-3-4-9/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide?
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 106719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).