(2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine

C19H39NO — CID 170083733

IUPAC(2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine
SMILESCCCCCCC(C)(CCCC)O[C@@H](C)[C@@H]1CCCN1C
InChIInChI=1S/C19H39NO/c1-6-8-10-11-15-19(4,14-9-7-2)21-17(3)18-13-12-16-20(18)5/h17-18H,6-16H2,1-5H3/t17-,18-,19?/m0/s1
InChIKeyOYOSOKRJQLAJAG-ADUPEVMXSA-N
MW297.53 g/mol
LogP5.41
Rot. Bonds11

About (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine

(2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine (PubChem CID 170083733) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine
PubChem CID170083733
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name(2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine
SMILESCCCCCCC(C)(CCCC)O[C@@H](C)[C@@H]1CCCN1C
InChIInChI=1S/C19H39NO/c1-6-8-10-11-15-19(4,14-9-7-2)21-17(3)18-13-12-16-20(18)5/h17-18H,6-16H2,1-5H3/t17-,18-,19?/m0/s1
InChIKeyOYOSOKRJQLAJAG-ADUPEVMXSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine (CID 170083733) is (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine is CCCCCCC(C)(CCCC)O[C@@H](C)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine?
The InChIKey is OYOSOKRJQLAJAG-ADUPEVMXSA-N. The full InChI is InChI=1S/C19H39NO/c1-6-8-10-11-15-19(4,14-9-7-2)21-17(3)18-13-12-16-20(18)5/h17-18H,6-16H2,1-5H3/t17-,18-,19?/m0/s1.
What are the key properties of (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine?
(2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine has a molecular weight of 297.53 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[(1S)-1-(5-methylundecan-5-yloxy)ethyl]pyrrolidine is sourced from PubChem (CID 170083733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).