3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine

C13H25NO — CID 91156043

IUPAC3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine
SMILESCOC1(C)CCC(C)(C2CCNC2)CC1
InChIInChI=1S/C13H25NO/c1-12(11-4-9-14-10-11)5-7-13(2,15-3)8-6-12/h11,14H,4-10H2,1-3H3
InChIKeyQSQKLRLXXLFEFU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds2

About 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine

3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine (PubChem CID 91156043) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine
PubChem CID91156043
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine
SMILESCOC1(C)CCC(C)(C2CCNC2)CC1
InChIInChI=1S/C13H25NO/c1-12(11-4-9-14-10-11)5-7-13(2,15-3)8-6-12/h11,14H,4-10H2,1-3H3
InChIKeyQSQKLRLXXLFEFU-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine?
The IUPAC name of 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine (CID 91156043) is 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine.
What is the SMILES notation for 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine?
The canonical SMILES for 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine is COC1(C)CCC(C)(C2CCNC2)CC1.
What is the InChIKey of 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine?
The InChIKey is QSQKLRLXXLFEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(11-4-9-14-10-11)5-7-13(2,15-3)8-6-12/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine?
3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1,4-dimethylcyclohexyl)pyrrolidine is sourced from PubChem (CID 91156043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).