(2S,5S)-2-methyl-5-nonylpyrrolidine

C14H29N — CID 15722669

IUPAC(2S,5S)-2-methyl-5-nonylpyrrolidine
SMILESCCCCCCCCC[C@H]1CC[C@H](C)N1
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-14-12-11-13(2)15-14/h13-15H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyYRAMJGOKBGKCBI-KBPBESRZSA-N
MW211.39 g/mol
LogP4.27
Rot. Bonds8

About (2S,5S)-2-methyl-5-nonylpyrrolidine

(2S,5S)-2-methyl-5-nonylpyrrolidine (PubChem CID 15722669) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (2S,5S)-2-methyl-5-nonylpyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2-methyl-5-nonylpyrrolidine
PubChem CID15722669
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(2S,5S)-2-methyl-5-nonylpyrrolidine
SMILESCCCCCCCCC[C@H]1CC[C@H](C)N1
InChIInChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-14-12-11-13(2)15-14/h13-15H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyYRAMJGOKBGKCBI-KBPBESRZSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.27
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

(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126
(2S,6R)-2-methyl-6-tridecylpiperidine;hydrochloride
CID 24773513
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
CID 131877830
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
2-(3-chloropropyl)-5-methylpyrrolidine
CID 174366424
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methyl-5-nonylpyrrolidine?
The IUPAC name of (2S,5S)-2-methyl-5-nonylpyrrolidine (CID 15722669) is (2S,5S)-2-methyl-5-nonylpyrrolidine.
What is the SMILES notation for (2S,5S)-2-methyl-5-nonylpyrrolidine?
The canonical SMILES for (2S,5S)-2-methyl-5-nonylpyrrolidine is CCCCCCCCC[C@H]1CC[C@H](C)N1.
What is the InChIKey of (2S,5S)-2-methyl-5-nonylpyrrolidine?
The InChIKey is YRAMJGOKBGKCBI-KBPBESRZSA-N. The full InChI is InChI=1S/C14H29N/c1-3-4-5-6-7-8-9-10-14-12-11-13(2)15-14/h13-15H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,5S)-2-methyl-5-nonylpyrrolidine?
(2S,5S)-2-methyl-5-nonylpyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methyl-5-nonylpyrrolidine is sourced from PubChem (CID 15722669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).