(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine

C15H25N3 — CID 66567005

IUPAC(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1ccccc1)[C@H]1CCN(CCN)C1
InChIInChI=1S/C15H25N3/c1-2-18(12-14-6-4-3-5-7-14)15-8-10-17(13-15)11-9-16/h3-7,15H,2,8-13,16H2,1H3/t15-/m0/s1
InChIKeyMIOJMQKGNXNBQY-HNNXBMFYSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds6

About (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine

(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine (PubChem CID 66567005) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
PubChem CID66567005
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1ccccc1)[C@H]1CCN(CCN)C1
InChIInChI=1S/C15H25N3/c1-2-18(12-14-6-4-3-5-7-14)15-8-10-17(13-15)11-9-16/h3-7,15H,2,8-13,16H2,1H3/t15-/m0/s1
InChIKeyMIOJMQKGNXNBQY-HNNXBMFYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 66567008
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66567022
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 107365088
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
1-(2-aminoethyl)-N,N-diethylazepan-3-amine
CID 14210025
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
CID 63321943
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine (CID 66567005) is (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine is CCN(Cc1ccccc1)[C@H]1CCN(CCN)C1.
What is the InChIKey of (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine?
The InChIKey is MIOJMQKGNXNBQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-18(12-14-6-4-3-5-7-14)15-8-10-17(13-15)11-9-16/h3-7,15H,2,8-13,16H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine?
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 66567005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).