(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine

C12H25NO — CID 138459557

IUPAC(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine
SMILESCCC(C)(C)CN1CCC[C@H]1COC
InChIInChI=1S/C12H25NO/c1-5-12(2,3)10-13-8-6-7-11(13)9-14-4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyVVVDTLPLHPBZKZ-NSHDSACASA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine

(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 138459557) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine
PubChem CID138459557
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine
SMILESCCC(C)(C)CN1CCC[C@H]1COC
InChIInChI=1S/C12H25NO/c1-5-12(2,3)10-13-8-6-7-11(13)9-14-4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyVVVDTLPLHPBZKZ-NSHDSACASA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
CID 134386635
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
CID 145338634
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
1-ethyl-2-(methoxymethyl)azetidine
CID 123419729
N-tert-butyl-3-(2-ethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62278344
2-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 13397234
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol
CID 62261349
4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70764780

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine (CID 138459557) is (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine is CCC(C)(C)CN1CCC[C@H]1COC.
What is the InChIKey of (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is VVVDTLPLHPBZKZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(2,3)10-13-8-6-7-11(13)9-14-4/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine?
(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 138459557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).