(2S,5R)-2-hexyl-5-nonylpyrrolidine

C19H39N — CID 163001890

IUPAC(2S,5R)-2-hexyl-5-nonylpyrrolidine
SMILESCCCCCCCCC[C@@H]1CC[C@H](CCCCCC)N1
InChIInChI=1S/C19H39N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h18-20H,3-17H2,1-2H3/t18-,19+/m0/s1
InChIKeyXUEUDIJZMZDEHO-RBUKOAKNSA-N
MW281.53 g/mol
LogP6.22
Rot. Bonds13

About (2S,5R)-2-hexyl-5-nonylpyrrolidine

(2S,5R)-2-hexyl-5-nonylpyrrolidine (PubChem CID 163001890) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is (2S,5R)-2-hexyl-5-nonylpyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-hexyl-5-nonylpyrrolidine
PubChem CID163001890
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name(2S,5R)-2-hexyl-5-nonylpyrrolidine
SMILESCCCCCCCCC[C@@H]1CC[C@H](CCCCCC)N1
InChIInChI=1S/C19H39N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h18-20H,3-17H2,1-2H3/t18-,19+/m0/s1
InChIKeyXUEUDIJZMZDEHO-RBUKOAKNSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.22
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
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
(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
(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine
CID 71662832
[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
CID 131230214
2-octyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778471
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-hexyl-5-nonylpyrrolidine?
The IUPAC name of (2S,5R)-2-hexyl-5-nonylpyrrolidine (CID 163001890) is (2S,5R)-2-hexyl-5-nonylpyrrolidine.
What is the SMILES notation for (2S,5R)-2-hexyl-5-nonylpyrrolidine?
The canonical SMILES for (2S,5R)-2-hexyl-5-nonylpyrrolidine is CCCCCCCCC[C@@H]1CC[C@H](CCCCCC)N1.
What is the InChIKey of (2S,5R)-2-hexyl-5-nonylpyrrolidine?
The InChIKey is XUEUDIJZMZDEHO-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h18-20H,3-17H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (2S,5R)-2-hexyl-5-nonylpyrrolidine?
(2S,5R)-2-hexyl-5-nonylpyrrolidine has a molecular weight of 281.53 g/mol, XLogP of 6.22, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-hexyl-5-nonylpyrrolidine is sourced from PubChem (CID 163001890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).