2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide

C10H21N3O — CID 114802680

IUPAC2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCC(CCN)C1
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)8-13-6-4-9(7-13)3-5-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyZICPZXXRFDZRAN-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.21
Rot. Bonds5

About 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide

2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide (PubChem CID 114802680) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
PubChem CID114802680
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCC(CCN)C1
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)8-13-6-4-9(7-13)3-5-11/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyZICPZXXRFDZRAN-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 114802649
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 114802683
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
CID 63849644
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide (CID 114802680) is 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCC(CCN)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide?
The InChIKey is ZICPZXXRFDZRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-12-10(14)8-13-6-4-9(7-13)3-5-11/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide?
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide has a molecular weight of 199.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 114802680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).