3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide

C11H19N3O — CID 115187638

IUPAC3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide
SMILESCNCC(C(=O)Nc1cc[nH]c1)C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)10(7-12-3)11(15)14-9-4-5-13-6-9/h4-6,8,10,12-13H,7H2,1-3H3,(H,14,15)
InChIKeyIIBKWKMXBAWVCA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.44
Rot. Bonds5

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

3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide (PubChem CID 115187638) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide
PubChem CID115187638
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide
SMILESCNCC(C(=O)Nc1cc[nH]c1)C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)10(7-12-3)11(15)14-9-4-5-13-6-9/h4-6,8,10,12-13H,7H2,1-3H3,(H,14,15)
InChIKeyIIBKWKMXBAWVCA-UHFFFAOYSA-N
XLogP1.44
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187811
3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide
CID 115187639
4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
CID 115156226
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
3-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]butanamide
CID 115187718
3-oxo-3-(1H-pyrrol-3-ylamino)propanoic acid
CID 115163232
2-(aminomethyl)-3-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115187573
N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187709
N-methyl-N'-(1H-pyrrol-3-yl)methanediamine
CID 115226530
3-methyl-2-[(1H-pyrrol-3-ylmethylamino)methyl]butanoic acid
CID 115250331
2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide
CID 66408507
N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 116931194

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide?
The IUPAC name of 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide (CID 115187638) is 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide is CNCC(C(=O)Nc1cc[nH]c1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide?
The InChIKey is IIBKWKMXBAWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(7-12-3)11(15)14-9-4-5-13-6-9/h4-6,8,10,12-13H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide?
3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide is sourced from PubChem (CID 115187638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).