(2R,5R)-2-pentyl-5-propylpyrrolidine

C12H25N — CID 10846548

IUPAC(2R,5R)-2-pentyl-5-propylpyrrolidine
SMILESCCCCC[C@@H]1CC[C@@H](CCC)N1
InChIInChI=1S/C12H25N/c1-3-5-6-8-12-10-9-11(13-12)7-4-2/h11-13H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyLIJKTVPXFZLKGK-VXGBXAGGSA-N
MW183.34 g/mol
LogP3.49
Rot. Bonds6

About (2R,5R)-2-pentyl-5-propylpyrrolidine

(2R,5R)-2-pentyl-5-propylpyrrolidine (PubChem CID 10846548) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (2R,5R)-2-pentyl-5-propylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2-pentyl-5-propylpyrrolidine
PubChem CID10846548
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(2R,5R)-2-pentyl-5-propylpyrrolidine
SMILESCCCCC[C@@H]1CC[C@@H](CCC)N1
InChIInChI=1S/C12H25N/c1-3-5-6-8-12-10-9-11(13-12)7-4-2/h11-13H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyLIJKTVPXFZLKGK-VXGBXAGGSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.49
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
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
(2R)-2,5-dipropylpyrrolidine
CID 143543976
(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,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 (2R,5R)-2-pentyl-5-propylpyrrolidine?
The IUPAC name of (2R,5R)-2-pentyl-5-propylpyrrolidine (CID 10846548) is (2R,5R)-2-pentyl-5-propylpyrrolidine.
What is the SMILES notation for (2R,5R)-2-pentyl-5-propylpyrrolidine?
The canonical SMILES for (2R,5R)-2-pentyl-5-propylpyrrolidine is CCCCC[C@@H]1CC[C@@H](CCC)N1.
What is the InChIKey of (2R,5R)-2-pentyl-5-propylpyrrolidine?
The InChIKey is LIJKTVPXFZLKGK-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25N/c1-3-5-6-8-12-10-9-11(13-12)7-4-2/h11-13H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-2-pentyl-5-propylpyrrolidine?
(2R,5R)-2-pentyl-5-propylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-pentyl-5-propylpyrrolidine is sourced from PubChem (CID 10846548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).