N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide

C13H20N4O — CID 106719702

IUPACN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide
SMILESCN(C(=O)Cn1cnc(CNC2CC2)c1)C1CC1
InChIInChI=1S/C13H20N4O/c1-16(12-4-5-12)13(18)8-17-7-11(15-9-17)6-14-10-2-3-10/h7,9-10,12,14H,2-6,8H2,1H3
InChIKeyPIVNVYDHEINAED-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.76
Rot. Bonds6

About N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide

N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide (PubChem CID 106719702) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide
PubChem CID106719702
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide
SMILESCN(C(=O)Cn1cnc(CNC2CC2)c1)C1CC1
InChIInChI=1S/C13H20N4O/c1-16(12-4-5-12)13(18)8-17-7-11(15-9-17)6-14-10-2-3-10/h7,9-10,12,14H,2-6,8H2,1H3
InChIKeyPIVNVYDHEINAED-UHFFFAOYSA-N
XLogP0.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide
CID 106720377
N-cyclopropyl-N-ethyl-2-[4-(propylaminomethyl)imidazol-1-yl]acetamide
CID 106719093
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
N-[[1-[3-(dimethylamino)-2,2-dimethylpropyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114203981
N-cyclopropyl-2-[4-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 106718782
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719864
N-[[1-(2,2,2-trifluoroethoxymethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719983
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide (CID 106719702) is N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide is CN(C(=O)Cn1cnc(CNC2CC2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide?
The InChIKey is PIVNVYDHEINAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(12-4-5-12)13(18)8-17-7-11(15-9-17)6-14-10-2-3-10/h7,9-10,12,14H,2-6,8H2,1H3.
What are the key properties of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide?
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 106719702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).