3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine

C12H25NO — CID 58778810

IUPAC3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCOCC1CCN(C(C)C)C1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12-11(8-14-5)6-7-13(12)10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyIKMFBHVEUMTNMS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.39
Rot. Bonds4

About 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine

3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 58778810) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
PubChem CID58778810
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCOCC1CCN(C(C)C)C1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12-11(8-14-5)6-7-13(12)10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyIKMFBHVEUMTNMS-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778374
(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 146572367
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
CID 171506094
(2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196736
(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine
CID 169016330
(1-propan-2-ylazetidin-2-yl)methyl hypoiodite
CID 176946794
2,3,4-tri(propan-2-yl)morpholine
CID 166020055
3-(methoxymethyl)-2-propan-2-ylpyrrolidine
CID 105430787
2-(methoxymethyl)-4-methyl-1-propan-2-ylpyrrolidine
CID 89385775
3-(methoxymethyl)-1,4-dimethylpiperidine
CID 170079512
1,2,5-tri(propan-2-yl)azepane
CID 176801550
methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 76664588

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine (CID 58778810) is 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine is COCC1CCN(C(C)C)C1C(C)C.
What is the InChIKey of 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is IKMFBHVEUMTNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)12-11(8-14-5)6-7-13(12)10(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine?
3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).