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

C10H23N3 — CID 83963170

IUPAC2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
SMILESCCNCCC1CCN(CCN)C1
InChIInChI=1S/C10H23N3/c1-2-12-6-3-10-4-7-13(9-10)8-5-11/h10,12H,2-9,11H2,1H3
InChIKeyPPSSSMLABFXFPU-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.27
Rot. Bonds6

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

2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine (PubChem CID 83963170) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
PubChem CID83963170
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
SMILESCCNCCC1CCN(CCN)C1
InChIInChI=1S/C10H23N3/c1-2-12-6-3-10-4-7-13(9-10)8-5-11/h10,12H,2-9,11H2,1H3
InChIKeyPPSSSMLABFXFPU-UHFFFAOYSA-N
XLogP0.27
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
CID 83981099
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 143093891
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
CID 129322519
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
CID 131206914
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
CID 83963196
N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980706
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 114802680

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine?
The IUPAC name of 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine (CID 83963170) is 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine is CCNCCC1CCN(CCN)C1.
What is the InChIKey of 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine?
The InChIKey is PPSSSMLABFXFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-2-12-6-3-10-4-7-13(9-10)8-5-11/h10,12H,2-9,11H2,1H3.
What are the key properties of 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine?
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine has a molecular weight of 185.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine is sourced from PubChem (CID 83963170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).