2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide

C13H23N3O — CID 66402133

IUPAC2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCNCc1cccn1CC(=O)NCCC(C)C
InChIInChI=1S/C13H23N3O/c1-11(2)6-7-15-13(17)10-16-8-4-5-12(16)9-14-3/h4-5,8,11,14H,6-7,9-10H2,1-3H3,(H,15,17)
InChIKeyIHNFNDNLIFCRMP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds7

About 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide

2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 66402133) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID66402133
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCNCc1cccn1CC(=O)NCCC(C)C
InChIInChI=1S/C13H23N3O/c1-11(2)6-7-15-13(17)10-16-8-4-5-12(16)9-14-3/h4-5,8,11,14H,6-7,9-10H2,1-3H3,(H,15,17)
InChIKeyIHNFNDNLIFCRMP-UHFFFAOYSA-N
XLogP1.37
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66402131
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66403097
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
N-(3-methylbutyl)-2-pyrrol-1-ylacetamide
CID 63809996
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
CID 66402331
2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 114652625
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 66401632
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide (CID 66402133) is 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide is CNCc1cccn1CC(=O)NCCC(C)C.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is IHNFNDNLIFCRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)6-7-15-13(17)10-16-8-4-5-12(16)9-14-3/h4-5,8,11,14H,6-7,9-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide?
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 66402133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).