(3S)-N-benzyl-N-ethylpyrrolidin-3-amine

C13H20N2 — CID 66569411

IUPAC(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C13H20N2/c1-2-15(13-8-9-14-10-13)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m0/s1
InChIKeyVJSDETCBJFSOJU-ZDUSSCGKSA-N
MW204.32 g/mol
LogP1.87
Rot. Bonds4

About (3S)-N-benzyl-N-ethylpyrrolidin-3-amine

(3S)-N-benzyl-N-ethylpyrrolidin-3-amine (PubChem CID 66569411) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3S)-N-benzyl-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
PubChem CID66569411
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
SMILESCCN(Cc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C13H20N2/c1-2-15(13-8-9-14-10-13)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m0/s1
InChIKeyVJSDETCBJFSOJU-ZDUSSCGKSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
CID 66569418
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
(3S)-N-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648784

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-ethylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-benzyl-N-ethylpyrrolidin-3-amine (CID 66569411) is (3S)-N-benzyl-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-benzyl-N-ethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-benzyl-N-ethylpyrrolidin-3-amine is CCN(Cc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-benzyl-N-ethylpyrrolidin-3-amine?
The InChIKey is VJSDETCBJFSOJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-15(13-8-9-14-10-13)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-ethylpyrrolidin-3-amine?
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 66569411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).