1-benzyl-3-ethylpyrrolidine

C13H19N — CID 12648208

IUPAC1-benzyl-3-ethylpyrrolidine
SMILESCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N/c1-2-12-8-9-14(10-12)11-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyVMUOXMZAVAFFRR-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.92
Rot. Bonds3

About 1-benzyl-3-ethylpyrrolidine

1-benzyl-3-ethylpyrrolidine (PubChem CID 12648208) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-benzyl-3-ethylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-ethylpyrrolidine
PubChem CID12648208
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-benzyl-3-ethylpyrrolidine
SMILESCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N/c1-2-12-8-9-14(10-12)11-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyVMUOXMZAVAFFRR-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-propylpyrrolidine
CID 12648211
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine
CID 83980661

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethylpyrrolidine?
The IUPAC name of 1-benzyl-3-ethylpyrrolidine (CID 12648208) is 1-benzyl-3-ethylpyrrolidine.
What is the SMILES notation for 1-benzyl-3-ethylpyrrolidine?
The canonical SMILES for 1-benzyl-3-ethylpyrrolidine is CCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-ethylpyrrolidine?
The InChIKey is VMUOXMZAVAFFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-12-8-9-14(10-12)11-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 1-benzyl-3-ethylpyrrolidine?
1-benzyl-3-ethylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethylpyrrolidine is sourced from PubChem (CID 12648208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).