ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine

C13H29NO — CID 169203567

IUPACethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine
SMILESCC.COC(C)(C)C(C)(C)N1CCCC1
InChIInChI=1S/C11H23NO.C2H6/c1-10(2,11(3,4)13-5)12-8-6-7-9-12;1-2/h6-9H2,1-5H3;1-2H3
InChIKeyAPQNHOFRMXAMJP-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.31
Rot. Bonds3

About ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine

ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine (PubChem CID 169203567) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine
PubChem CID169203567
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine
SMILESCC.COC(C)(C)C(C)(C)N1CCCC1
InChIInChI=1S/C11H23NO.C2H6/c1-10(2,11(3,4)13-5)12-8-6-7-9-12;1-2/h6-9H2,1-5H3;1-2H3
InChIKeyAPQNHOFRMXAMJP-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine?
The IUPAC name of ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine (CID 169203567) is ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine.
What is the SMILES notation for ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine?
The canonical SMILES for ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine is CC.COC(C)(C)C(C)(C)N1CCCC1.
What is the InChIKey of ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine?
The InChIKey is APQNHOFRMXAMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-10(2,11(3,4)13-5)12-8-6-7-9-12;1-2/h6-9H2,1-5H3;1-2H3.
What are the key properties of ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine?
ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine has a molecular weight of 215.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxy-2,3-dimethylbutan-2-yl)pyrrolidine is sourced from PubChem (CID 169203567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).