1-(4-pentan-3-ylphenyl)pyrrolidine

C15H23N — CID 168513845

IUPAC1-(4-pentan-3-ylphenyl)pyrrolidine
SMILESCCC(CC)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-3-13(4-2)14-7-9-15(10-8-14)16-11-5-6-12-16/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyIDYAGBKXYKNTHE-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-pentan-3-ylphenyl)pyrrolidine

1-(4-pentan-3-ylphenyl)pyrrolidine (PubChem CID 168513845) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(4-pentan-3-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-pentan-3-ylphenyl)pyrrolidine
PubChem CID168513845
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(4-pentan-3-ylphenyl)pyrrolidine
SMILESCCC(CC)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-3-13(4-2)14-7-9-15(10-8-14)16-11-5-6-12-16/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyIDYAGBKXYKNTHE-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19599631
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
CID 169104923
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 8878010
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one
CID 82161000
2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
CID 21098586

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentan-3-ylphenyl)pyrrolidine?
The IUPAC name of 1-(4-pentan-3-ylphenyl)pyrrolidine (CID 168513845) is 1-(4-pentan-3-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-pentan-3-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(4-pentan-3-ylphenyl)pyrrolidine is CCC(CC)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-(4-pentan-3-ylphenyl)pyrrolidine?
The InChIKey is IDYAGBKXYKNTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-13(4-2)14-7-9-15(10-8-14)16-11-5-6-12-16/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-pentan-3-ylphenyl)pyrrolidine?
1-(4-pentan-3-ylphenyl)pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentan-3-ylphenyl)pyrrolidine is sourced from PubChem (CID 168513845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).