N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide

C13H22N4O — CID 91644093

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide
SMILESCN(C)c1ncc(CNC(=O)C2(C)CCC2)n1C
InChIInChI=1S/C13H22N4O/c1-13(6-5-7-13)11(18)14-8-10-9-15-12(16(2)3)17(10)4/h9H,5-8H2,1-4H3,(H,14,18)
InChIKeyJVFDUYNTKOALTD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.29
Rot. Bonds4

About N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide (PubChem CID 91644093) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide
PubChem CID91644093
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide
SMILESCN(C)c1ncc(CNC(=O)C2(C)CCC2)n1C
InChIInChI=1S/C13H22N4O/c1-13(6-5-7-13)11(18)14-8-10-9-15-12(16(2)3)17(10)4/h9H,5-8H2,1-4H3,(H,14,18)
InChIKeyJVFDUYNTKOALTD-UHFFFAOYSA-N
XLogP1.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide (CID 91644093) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide is CN(C)c1ncc(CNC(=O)C2(C)CCC2)n1C.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide?
The InChIKey is JVFDUYNTKOALTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(6-5-7-13)11(18)14-8-10-9-15-12(16(2)3)17(10)4/h9H,5-8H2,1-4H3,(H,14,18).
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 91644093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).