(2S,5S)-2-ethyl-5-pentylpyrrolidine

C11H23N — CID 71392396

IUPAC(2S,5S)-2-ethyl-5-pentylpyrrolidine
SMILESCCCCC[C@H]1CC[C@H](CC)N1
InChIInChI=1S/C11H23N/c1-3-5-6-7-11-9-8-10(4-2)12-11/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyLJQWKQLTDIWXEV-QWRGUYRKSA-N
MW169.31 g/mol
LogP3.10
Rot. Bonds5

About (2S,5S)-2-ethyl-5-pentylpyrrolidine

(2S,5S)-2-ethyl-5-pentylpyrrolidine (PubChem CID 71392396) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2S,5S)-2-ethyl-5-pentylpyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2-ethyl-5-pentylpyrrolidine
PubChem CID71392396
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2S,5S)-2-ethyl-5-pentylpyrrolidine
SMILESCCCCC[C@H]1CC[C@H](CC)N1
InChIInChI=1S/C11H23N/c1-3-5-6-7-11-9-8-10(4-2)12-11/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyLJQWKQLTDIWXEV-QWRGUYRKSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
2-heptyl-5-hex-5-enylpyrrolidine
CID 592536
[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
CID 131230214
(2R)-2,5-dipropylpyrrolidine
CID 143543976
(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine
CID 71662832
2-octyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778471

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-ethyl-5-pentylpyrrolidine?
The IUPAC name of (2S,5S)-2-ethyl-5-pentylpyrrolidine (CID 71392396) is (2S,5S)-2-ethyl-5-pentylpyrrolidine.
What is the SMILES notation for (2S,5S)-2-ethyl-5-pentylpyrrolidine?
The canonical SMILES for (2S,5S)-2-ethyl-5-pentylpyrrolidine is CCCCC[C@H]1CC[C@H](CC)N1.
What is the InChIKey of (2S,5S)-2-ethyl-5-pentylpyrrolidine?
The InChIKey is LJQWKQLTDIWXEV-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23N/c1-3-5-6-7-11-9-8-10(4-2)12-11/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (2S,5S)-2-ethyl-5-pentylpyrrolidine?
(2S,5S)-2-ethyl-5-pentylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-ethyl-5-pentylpyrrolidine is sourced from PubChem (CID 71392396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).