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

C15H25N3 — CID 96554158

IUPAC2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
SMILESCN(Cc1ccccc1)C[C@@H]1CCN(CCN)C1
InChIInChI=1S/C15H25N3/c1-17(11-14-5-3-2-4-6-14)12-15-7-9-18(13-15)10-8-16/h2-6,15H,7-13,16H2,1H3/t15-/m0/s1
InChIKeyREOHBHQDJUTFKI-HNNXBMFYSA-N
MW247.39 g/mol
LogP1.40
Rot. Bonds6

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

2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine (PubChem CID 96554158) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
PubChem CID96554158
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
SMILESCN(Cc1ccccc1)C[C@@H]1CCN(CCN)C1
InChIInChI=1S/C15H25N3/c1-17(11-14-5-3-2-4-6-14)12-15-7-9-18(13-15)10-8-16/h2-6,15H,7-13,16H2,1H3/t15-/m0/s1
InChIKeyREOHBHQDJUTFKI-HNNXBMFYSA-N
XLogP1.40
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 66567008
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
benzyl N-[[1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566579
benzyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553911
2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554129
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine (CID 96554158) is 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine is CN(Cc1ccccc1)C[C@@H]1CCN(CCN)C1.
What is the InChIKey of 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
The InChIKey is REOHBHQDJUTFKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(11-14-5-3-2-4-6-14)12-15-7-9-18(13-15)10-8-16/h2-6,15H,7-13,16H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine?
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 96554158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).