2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide

C11H19N3O — CID 115188874

IUPAC2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
SMILESCCC(CNC)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-3-10(8-12-2)11(15)14-7-9-4-5-13-6-9/h4-6,10,12-13H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyYIXYALYNVVASSQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.88
Rot. Bonds6

About 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide

2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide (PubChem CID 115188874) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
PubChem CID115188874
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
SMILESCCC(CNC)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-3-10(8-12-2)11(15)14-7-9-4-5-13-6-9/h4-6,10,12-13H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyYIXYALYNVVASSQ-UHFFFAOYSA-N
XLogP0.88
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384852
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384976
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384830
N-[(2,4-dimethylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188860
2-chloro-2-phenyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384564

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide?
The IUPAC name of 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide (CID 115188874) is 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide is CCC(CNC)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide?
The InChIKey is YIXYALYNVVASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10(8-12-2)11(15)14-7-9-4-5-13-6-9/h4-6,10,12-13H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide?
2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide is sourced from PubChem (CID 115188874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).