2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine

C11H25N3 — CID 19846080

IUPAC2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
SMILESCCN(CC)CC1CCN(CCN)C1
InChIInChI=1S/C11H25N3/c1-3-13(4-2)9-11-5-7-14(10-11)8-6-12/h11H,3-10,12H2,1-2H3
InChIKeyMVXLNBGBMQUEBQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds6

About 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine

2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 19846080) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
PubChem CID19846080
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
SMILESCCN(CC)CC1CCN(CCN)C1
InChIInChI=1S/C11H25N3/c1-3-13(4-2)9-11-5-7-14(10-11)8-6-12/h11H,3-10,12H2,1-2H3
InChIKeyMVXLNBGBMQUEBQ-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
CID 14210022
2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 66567008
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine
CID 83963240
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
CID 129322519
2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
CID 131206914
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554442
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
CID 66567916

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine (CID 19846080) is 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine is CCN(CC)CC1CCN(CCN)C1.
What is the InChIKey of 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is MVXLNBGBMQUEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-13(4-2)9-11-5-7-14(10-11)8-6-12/h11H,3-10,12H2,1-2H3.
What are the key properties of 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine?
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 199.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 19846080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).