(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C12H25NO — CID 147300512

IUPAC(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESC[C@H]1CN(C)C(C)(COC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-10-7-12(5,13(6)8-10)9-14-11(2,3)4/h10H,7-9H2,1-6H3/t10-,12?/m1/s1
InChIKeyCVZIZCNIQQXIFX-RWANSRKNSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds2

About (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 147300512) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID147300512
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESC[C@H]1CN(C)C(C)(COC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-10-7-12(5,13(6)8-10)9-14-11(2,3)4/h10H,7-9H2,1-6H3/t10-,12?/m1/s1
InChIKeyCVZIZCNIQQXIFX-RWANSRKNSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine
CID 177010091
tert-butyl (2S,4R)-2-(hydroxymethyl)-2,4-dimethylpyrrolidine-1-carboxylate
CID 175637282
(6S)-2,2,6-trimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 95236081
(7R)-2,5,7-trimethyl-5-azaspiro[3.4]octane
CID 178101476
2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine
CID 130440854
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone
CID 20810077
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 47811029
6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-2-azaspiro[3.3]heptane
CID 145221794
5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
CID 112590949
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
CID 167387398
1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine
CID 170386744

Frequently Asked Questions

What is the IUPAC name of (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 147300512) is (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is C[C@H]1CN(C)C(C)(COC(C)(C)C)C1.
What is the InChIKey of (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is CVZIZCNIQQXIFX-RWANSRKNSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-7-12(5,13(6)8-10)9-14-11(2,3)4/h10H,7-9H2,1-6H3/t10-,12?/m1/s1.
What are the key properties of (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 147300512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).