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

C10H17N3O — CID 66402331

IUPACN-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
SMILESCNCc1cccn1CCC(=O)NC
InChIInChI=1S/C10H17N3O/c1-11-8-9-4-3-6-13(9)7-5-10(14)12-2/h3-4,6,11H,5,7-8H2,1-2H3,(H,12,14)
InChIKeyMZLMOFFKGMBGIT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.34
Rot. Bonds5

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

N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide (PubChem CID 66402331) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
PubChem CID66402331
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
SMILESCNCc1cccn1CCC(=O)NC
InChIInChI=1S/C10H17N3O/c1-11-8-9-4-3-6-13(9)7-5-10(14)12-2/h3-4,6,11H,5,7-8H2,1-2H3,(H,12,14)
InChIKeyMZLMOFFKGMBGIT-UHFFFAOYSA-N
XLogP0.34
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66403097
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
CID 62325583
N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
CID 66403495
3-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-methylpropanamide
CID 107017642
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 104565466
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66402131
4-[2-(methylaminomethyl)pyrrol-1-yl]butanenitrile
CID 66400963
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 66402133
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
CID 66400746
N-methyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanamine
CID 66401352
N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
CID 66400952

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide?
The IUPAC name of N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide (CID 66402331) is N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide is CNCc1cccn1CCC(=O)NC.
What is the InChIKey of N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide?
The InChIKey is MZLMOFFKGMBGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-8-9-4-3-6-13(9)7-5-10(14)12-2/h3-4,6,11H,5,7-8H2,1-2H3,(H,12,14).
What are the key properties of N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide?
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide has a molecular weight of 195.27 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide is sourced from PubChem (CID 66402331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).