2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide

C11H19N3O — CID 66408410

IUPAC2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ccc(CN)c1
InChIInChI=1S/C11H19N3O/c1-3-14(4-2)11(15)9-13-6-5-10(7-12)8-13/h5-6,8H,3-4,7,9,12H2,1-2H3
InChIKeyBLMUNEHXGIWZPR-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.82
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide

2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide (PubChem CID 66408410) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide
PubChem CID66408410
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ccc(CN)c1
InChIInChI=1S/C11H19N3O/c1-3-14(4-2)11(15)9-13-6-5-10(7-12)8-13/h5-6,8H,3-4,7,9,12H2,1-2H3
InChIKeyBLMUNEHXGIWZPR-UHFFFAOYSA-N
XLogP0.82
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103521
2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
CID 66407532
2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66407322
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
CID 66406597
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66406717
2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide
CID 110688830
N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099192
[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66409497
2-(3-aminopyrazol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62102871
N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66413975

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide (CID 66408410) is 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide?
The InChIKey is BLMUNEHXGIWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14(4-2)11(15)9-13-6-5-10(7-12)8-13/h5-6,8H,3-4,7,9,12H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide?
2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide has a molecular weight of 209.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 66408410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).