2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide

C13H21N3O — CID 79102532

IUPAC2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cccc1C(C)N)C1CC1
InChIInChI=1S/C13H21N3O/c1-3-16(11-6-7-11)13(17)9-15-8-4-5-12(15)10(2)14/h4-5,8,10-11H,3,6-7,9,14H2,1-2H3
InChIKeyNYMRDRPSQUAZKQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide

2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 79102532) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide
PubChem CID79102532
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cccc1C(C)N)C1CC1
InChIInChI=1S/C13H21N3O/c1-3-16(11-6-7-11)13(17)9-15-8-4-5-12(15)10(2)14/h4-5,8,10-11H,3,6-7,9,14H2,1-2H3
InChIKeyNYMRDRPSQUAZKQ-UHFFFAOYSA-N
XLogP1.52
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399317
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid
CID 61488702
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61488673
N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide
CID 102910057
N-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide
CID 115616728
N-cyclopropyl-N-ethyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95338399
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 66407506
N-cyclopropyl-2-(5-ethoxyindol-1-yl)-N-ethylacetamide
CID 116623952
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
N-cyclopropyl-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 79104153
1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide (CID 79102532) is 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)Cn1cccc1C(C)N)C1CC1.
What is the InChIKey of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is NYMRDRPSQUAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(11-6-7-11)13(17)9-15-8-4-5-12(15)10(2)14/h4-5,8,10-11H,3,6-7,9,14H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide?
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 79102532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).