(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine

C15H29NO — CID 20648546

IUPAC(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine
SMILESCCC[C@@H]1CC[C@@H](C(OC)C2CCCCC2)N1
InChIInChI=1S/C15H29NO/c1-3-7-13-10-11-14(16-13)15(17-2)12-8-5-4-6-9-12/h12-16H,3-11H2,1-2H3/t13-,14+,15?/m1/s1
InChIKeyYONOROHIFGZWNY-GNXJLENFSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

About (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine

(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine (PubChem CID 20648546) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine
PubChem CID20648546
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine
SMILESCCC[C@@H]1CC[C@@H](C(OC)C2CCCCC2)N1
InChIInChI=1S/C15H29NO/c1-3-7-13-10-11-14(16-13)15(17-2)12-8-5-4-6-9-12/h12-16H,3-11H2,1-2H3/t13-,14+,15?/m1/s1
InChIKeyYONOROHIFGZWNY-GNXJLENFSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine?
The IUPAC name of (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine (CID 20648546) is (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine.
What is the SMILES notation for (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine?
The canonical SMILES for (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine is CCC[C@@H]1CC[C@@H](C(OC)C2CCCCC2)N1.
What is the InChIKey of (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine?
The InChIKey is YONOROHIFGZWNY-GNXJLENFSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-7-13-10-11-14(16-13)15(17-2)12-8-5-4-6-9-12/h12-16H,3-11H2,1-2H3/t13-,14+,15?/m1/s1.
What are the key properties of (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine?
(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine is sourced from PubChem (CID 20648546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).