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

C16H27N3 — CID 96554164

IUPAC2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
SMILESCCN(Cc1ccccc1)C[C@H]1CCCN1CCN
InChIInChI=1S/C16H27N3/c1-2-18(13-15-7-4-3-5-8-15)14-16-9-6-11-19(16)12-10-17/h3-5,7-8,16H,2,6,9-14,17H2,1H3/t16-/m1/s1
InChIKeyZAIYHAMRTFKZIM-MRXNPFEDSA-N
MW261.41 g/mol
LogP1.93
Rot. Bonds7

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

2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine (PubChem CID 96554164) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
PubChem CID96554164
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
SMILESCCN(Cc1ccccc1)C[C@H]1CCCN1CCN
InChIInChI=1S/C16H27N3/c1-2-18(13-15-7-4-3-5-8-15)14-16-9-6-11-19(16)12-10-17/h3-5,7-8,16H,2,6,9-14,17H2,1H3/t16-/m1/s1
InChIKeyZAIYHAMRTFKZIM-MRXNPFEDSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine with MolForge

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Related Compounds

2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554333
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine
CID 96554182
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 66567008
2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554121
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
CID 92982304

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine (CID 96554164) is 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine is CCN(Cc1ccccc1)C[C@H]1CCCN1CCN.
What is the InChIKey of 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The InChIKey is ZAIYHAMRTFKZIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-18(13-15-7-4-3-5-8-15)14-16-9-6-11-19(16)12-10-17/h3-5,7-8,16H,2,6,9-14,17H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 96554164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).