1-benzyl-3-propylpyrrolidine

C14H21N — CID 12648211

IUPAC1-benzyl-3-propylpyrrolidine
SMILESCCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21N/c1-2-6-13-9-10-15(11-13)12-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3
InChIKeyCKDDDRBLJLISPF-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.31
Rot. Bonds4

About 1-benzyl-3-propylpyrrolidine

1-benzyl-3-propylpyrrolidine (PubChem CID 12648211) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-benzyl-3-propylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-propylpyrrolidine
PubChem CID12648211
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-benzyl-3-propylpyrrolidine
SMILESCCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21N/c1-2-6-13-9-10-15(11-13)12-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3
InChIKeyCKDDDRBLJLISPF-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-ethylpyrrolidine
CID 12648208
[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 113356734
2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 115970486
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348275
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propylpyrrolidine?
The IUPAC name of 1-benzyl-3-propylpyrrolidine (CID 12648211) is 1-benzyl-3-propylpyrrolidine.
What is the SMILES notation for 1-benzyl-3-propylpyrrolidine?
The canonical SMILES for 1-benzyl-3-propylpyrrolidine is CCCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-propylpyrrolidine?
The InChIKey is CKDDDRBLJLISPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-6-13-9-10-15(11-13)12-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3.
What are the key properties of 1-benzyl-3-propylpyrrolidine?
1-benzyl-3-propylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propylpyrrolidine is sourced from PubChem (CID 12648211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).