(2S,5R)-2-methyl-5-pentadecylpyrrolidine

C20H41N — CID 15722672

IUPAC(2S,5R)-2-methyl-5-pentadecylpyrrolidine
SMILESCCCCCCCCCCCCCCC[C@@H]1CC[C@H](C)N1
InChIInChI=1S/C20H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18-17-19(2)21-20/h19-21H,3-18H2,1-2H3/t19-,20+/m0/s1
InChIKeyIZDGWKWZCJCEHE-VQTJNVASSA-N
MW295.56 g/mol
LogP6.61
Rot. Bonds14

About (2S,5R)-2-methyl-5-pentadecylpyrrolidine

(2S,5R)-2-methyl-5-pentadecylpyrrolidine (PubChem CID 15722672) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is (2S,5R)-2-methyl-5-pentadecylpyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-methyl-5-pentadecylpyrrolidine
PubChem CID15722672
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name(2S,5R)-2-methyl-5-pentadecylpyrrolidine
SMILESCCCCCCCCCCCCCCC[C@@H]1CC[C@H](C)N1
InChIInChI=1S/C20H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18-17-19(2)21-20/h19-21H,3-18H2,1-2H3/t19-,20+/m0/s1
InChIKeyIZDGWKWZCJCEHE-VQTJNVASSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,5R)-2-methyl-5-pentadecylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
(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,5R)-2-methyl-5-pentadecylpyrrolidine?
The IUPAC name of (2S,5R)-2-methyl-5-pentadecylpyrrolidine (CID 15722672) is (2S,5R)-2-methyl-5-pentadecylpyrrolidine.
What is the SMILES notation for (2S,5R)-2-methyl-5-pentadecylpyrrolidine?
The canonical SMILES for (2S,5R)-2-methyl-5-pentadecylpyrrolidine is CCCCCCCCCCCCCCC[C@@H]1CC[C@H](C)N1.
What is the InChIKey of (2S,5R)-2-methyl-5-pentadecylpyrrolidine?
The InChIKey is IZDGWKWZCJCEHE-VQTJNVASSA-N. The full InChI is InChI=1S/C20H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18-17-19(2)21-20/h19-21H,3-18H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of (2S,5R)-2-methyl-5-pentadecylpyrrolidine?
(2S,5R)-2-methyl-5-pentadecylpyrrolidine has a molecular weight of 295.56 g/mol, XLogP of 6.61, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-methyl-5-pentadecylpyrrolidine is sourced from PubChem (CID 15722672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).