N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide

C9H16N4O — CID 62325583

IUPACN-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
SMILESCNCc1nccn1CCC(=O)NC
InChIInChI=1S/C9H16N4O/c1-10-7-8-12-4-6-13(8)5-3-9(14)11-2/h4,6,10H,3,5,7H2,1-2H3,(H,11,14)
InChIKeyCNVZXDVQJJDVCK-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds5

About N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide

N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide (PubChem CID 62325583) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
PubChem CID62325583
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
SMILESCNCc1nccn1CCC(=O)NC
InChIInChI=1S/C9H16N4O/c1-10-7-8-12-4-6-13(8)5-3-9(14)11-2/h4,6,10H,3,5,7H2,1-2H3,(H,11,14)
InChIKeyCNVZXDVQJJDVCK-UHFFFAOYSA-N
XLogP-0.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide?
The IUPAC name of N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide (CID 62325583) is N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide is CNCc1nccn1CCC(=O)NC.
What is the InChIKey of N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide?
The InChIKey is CNVZXDVQJJDVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-7-8-12-4-6-13(8)5-3-9(14)11-2/h4,6,10H,3,5,7H2,1-2H3,(H,11,14).
What are the key properties of N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide?
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 62325583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).