(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine

C19H35N — CID 71662832

IUPAC(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine
SMILESCCCCCCC#CC[C@H]1CC[C@@H](CCCCCC)N1
InChIInChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h18-20H,3-10,12,14-17H2,1-2H3/t18-,19+/m1/s1
InChIKeyYWTKVEXBWHTYNI-MOPGFXCFSA-N
MW277.50 g/mol
LogP5.44
Rot. Bonds10

About (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine

(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine (PubChem CID 71662832) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine
PubChem CID71662832
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine
SMILESCCCCCCC#CC[C@H]1CC[C@@H](CCCCCC)N1
InChIInChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h18-20H,3-10,12,14-17H2,1-2H3/t18-,19+/m1/s1
InChIKeyYWTKVEXBWHTYNI-MOPGFXCFSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(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
henicos-8-yne
CID 22224321
2-heptyl-5-methylpiperidine
CID 106778362
2-hexyl-5-methylpiperidine
CID 106778394

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine?
The IUPAC name of (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine (CID 71662832) is (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine.
What is the SMILES notation for (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine?
The canonical SMILES for (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine is CCCCCCC#CC[C@H]1CC[C@@H](CCCCCC)N1.
What is the InChIKey of (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine?
The InChIKey is YWTKVEXBWHTYNI-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h18-20H,3-10,12,14-17H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine?
(2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine has a molecular weight of 277.50 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-hexyl-5-non-2-ynylpyrrolidine is sourced from PubChem (CID 71662832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).