N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide

C9H16N4O — CID 62133303

IUPACN,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
SMILESCC(Nc1nccn1C)C(=O)N(C)C
InChIInChI=1S/C9H16N4O/c1-7(8(14)12(2)3)11-9-10-5-6-13(9)4/h5-7H,1-4H3,(H,10,11)
InChIKeyHLQVGBYMGJYGHW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.31
Rot. Bonds3

About N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide

N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide (PubChem CID 62133303) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
PubChem CID62133303
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide
SMILESCC(Nc1nccn1C)C(=O)N(C)C
InChIInChI=1S/C9H16N4O/c1-7(8(14)12(2)3)11-9-10-5-6-13(9)4/h5-7H,1-4H3,(H,10,11)
InChIKeyHLQVGBYMGJYGHW-UHFFFAOYSA-N
XLogP0.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-methylimidazol-2-yl)amino]propanoate
CID 62133474
(2R)-N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]propanamide
CID 103914492
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N,N-dimethylpropanamide
CID 104731043
1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
CID 110470347
1-N,1-N-dimethyl-2-N-(1-methylimidazol-2-yl)propane-1,2-diamine
CID 82937558
N,2-dimethyl-N-(1-methylimidazol-2-yl)propanamide
CID 131134121
N,N-dimethyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanamide
CID 104731044
N,N,4-trimethyl-2-[(1-methylimidazol-2-yl)methylamino]pentanamide
CID 62357240
2-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 62132542
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
CID 62133098
N,N-dimethyl-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 115898862
2-methyl-4-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 80539688

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide (CID 62133303) is N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide is CC(Nc1nccn1C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide?
The InChIKey is HLQVGBYMGJYGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(8(14)12(2)3)11-9-10-5-6-13(9)4/h5-7H,1-4H3,(H,10,11).
What are the key properties of N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide?
N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1-methylimidazol-2-yl)amino]propanamide is sourced from PubChem (CID 62133303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).