3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine

C10H21NO — CID 62355578

IUPAC3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine
SMILESCOC(C)(C)CC1(C)CCNC1
InChIInChI=1S/C10H21NO/c1-9(2,12-4)7-10(3)5-6-11-8-10/h11H,5-8H2,1-4H3
InChIKeyPTZXUCFIAGCMAS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

About 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine

3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine (PubChem CID 62355578) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine
PubChem CID62355578
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine
SMILESCOC(C)(C)CC1(C)CCNC1
InChIInChI=1S/C10H21NO/c1-9(2,12-4)7-10(3)5-6-11-8-10/h11H,5-8H2,1-4H3
InChIKeyPTZXUCFIAGCMAS-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine (CID 62355578) is 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine.
What is the SMILES notation for 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine is COC(C)(C)CC1(C)CCNC1.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine?
The InChIKey is PTZXUCFIAGCMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,12-4)7-10(3)5-6-11-8-10/h11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine?
3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-3-methylpyrrolidine is sourced from PubChem (CID 62355578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).