2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide

C11H19N3O — CID 66397768

IUPAC2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
SMILESCCn1ccc(CNCC(=O)N(C)C)c1
InChIInChI=1S/C11H19N3O/c1-4-14-6-5-10(9-14)7-12-8-11(15)13(2)3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyDTRLQTPXAMAAKO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.69
Rot. Bonds5

About 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide

2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide (PubChem CID 66397768) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
PubChem CID66397768
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
SMILESCCn1ccc(CNCC(=O)N(C)C)c1
InChIInChI=1S/C11H19N3O/c1-4-14-6-5-10(9-14)7-12-8-11(15)13(2)3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyDTRLQTPXAMAAKO-UHFFFAOYSA-N
XLogP0.69
TPSA37.27 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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea
CID 83109384
4-[(1-ethylpyrrol-3-yl)methylamino]butanoic acid
CID 66413985
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
CID 66414373
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 43214630
6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol
CID 103270570
N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
CID 82706620
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)methylamino]acetamide
CID 62995684
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66414820
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
CID 66406597
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide (CID 66397768) is 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide is CCn1ccc(CNCC(=O)N(C)C)c1.
What is the InChIKey of 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide?
The InChIKey is DTRLQTPXAMAAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-14-6-5-10(9-14)7-12-8-11(15)13(2)3/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide?
2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide has a molecular weight of 209.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 66397768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).