3-(2,2-dimethylpropyl)-3-methoxypyrrolidine

C10H21NO — CID 83816322

IUPAC3-(2,2-dimethylpropyl)-3-methoxypyrrolidine
SMILESCOC1(CC(C)(C)C)CCNC1
InChIInChI=1S/C10H21NO/c1-9(2,3)7-10(12-4)5-6-11-8-10/h11H,5-8H2,1-4H3
InChIKeyBZCFNURXJYRGGC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine

3-(2,2-dimethylpropyl)-3-methoxypyrrolidine (PubChem CID 83816322) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-methoxypyrrolidine
PubChem CID83816322
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(2,2-dimethylpropyl)-3-methoxypyrrolidine
SMILESCOC1(CC(C)(C)C)CCNC1
InChIInChI=1S/C10H21NO/c1-9(2,3)7-10(12-4)5-6-11-8-10/h11H,5-8H2,1-4H3
InChIKeyBZCFNURXJYRGGC-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

(3-methoxypyrrolidin-3-yl)methanamine
CID 19694993
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
3-(cyclobutylmethyl)-3-methoxypyrrolidine
CID 105434266
(3-methoxypyrrolidin-3-yl)methanesulfinic acid
CID 115015447
3-(isocyanatomethyl)-3-methoxypyrrolidine
CID 105430502
(4-methoxypiperidin-4-yl)methanamine
CID 84648969
4-[(3-methoxypyrrolidin-3-yl)methyl]phenol
CID 105460442
3-(2,2-dimethylpropyl)piperidin-3-ol
CID 83682912
4-methoxy-4-(3-methylbutyl)piperidine
CID 105441855
(4-methoxyazepan-4-yl)methanamine
CID 105431048
3-ethyl-3-methoxyazetidine;hydrochloride
CID 66592095
(3S)-3-methoxy-3-methylpyrrolidine
CID 98774544

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine (CID 83816322) is 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine is COC1(CC(C)(C)C)CCNC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine?
The InChIKey is BZCFNURXJYRGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)7-10(12-4)5-6-11-8-10/h11H,5-8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine?
3-(2,2-dimethylpropyl)-3-methoxypyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-methoxypyrrolidine is sourced from PubChem (CID 83816322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).