(2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine

C12H24N2O — CID 14197040

IUPAC(2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine
SMILESCOC[C@@H]1CCCN1C[C@@H]1CCCN1C
InChIInChI=1S/C12H24N2O/c1-13-7-3-5-11(13)9-14-8-4-6-12(14)10-15-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyINYLXTDJQYEXAY-RYUDHWBXSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds4

About (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine

(2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine (PubChem CID 14197040) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine
PubChem CID14197040
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine
SMILESCOC[C@@H]1CCCN1C[C@@H]1CCCN1C
InChIInChI=1S/C12H24N2O/c1-13-7-3-5-11(13)9-14-8-4-6-12(14)10-15-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyINYLXTDJQYEXAY-RYUDHWBXSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-{[(2S)-1-Methylpyrrolidin-2-YL]methyl}pyrrolidin-2-YL]methanol
CID 1268137
Bismethoxymethyl pyrrolidine
CID 22475505
[(2S)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 70356915
[1-[(1-Methylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 4358320
[(2R)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 10703127
lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate
CID 23704448
(2S)-2-(methoxymethyl)-1-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrrolidine
CID 101686884
1-[[1-(Oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
CID 56824355
[(2R)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 928597
1-Ethyl-2-(methoxymethyl)pyrrolidine
CID 12716243
(2S)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 12716244
2-(Methoxymethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 14197039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine (CID 14197040) is (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine is COC[C@@H]1CCCN1C[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine?
The InChIKey is INYLXTDJQYEXAY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-7-3-5-11(13)9-14-8-4-6-12(14)10-15-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine?
(2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 14197040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).