2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine

C16H27N3 — CID 66567008

IUPAC2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
SMILESCCN(Cc1ccccc1)CC1CCN(CCN)C1
InChIInChI=1S/C16H27N3/c1-2-18(12-15-6-4-3-5-7-15)13-16-8-10-19(14-16)11-9-17/h3-7,16H,2,8-14,17H2,1H3
InChIKeyYOJPKTPEYOXWLK-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.79
Rot. Bonds7

About 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine

2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine (PubChem CID 66567008) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
PubChem CID66567008
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
SMILESCCN(Cc1ccccc1)CC1CCN(CCN)C1
InChIInChI=1S/C16H27N3/c1-2-18(12-15-6-4-3-5-7-15)13-16-8-10-19(14-16)11-9-17/h3-7,16H,2,8-14,17H2,1H3
InChIKeyYOJPKTPEYOXWLK-UHFFFAOYSA-N
XLogP1.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554129
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
CID 14210022
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
benzyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553911
benzyl N-[[1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566579

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine (CID 66567008) is 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine is CCN(Cc1ccccc1)CC1CCN(CCN)C1.
What is the InChIKey of 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The InChIKey is YOJPKTPEYOXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-18(12-15-6-4-3-5-7-15)13-16-8-10-19(14-16)11-9-17/h3-7,16H,2,8-14,17H2,1H3.
What are the key properties of 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 66567008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).