(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine

C11H22N2O3 — CID 11128124

IUPAC(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC/C=N/N1CCC[C@H]1COCCOC
InChIInChI=1S/C11H22N2O3/c1-14-7-5-12-13-6-3-4-11(13)10-16-9-8-15-2/h5,11H,3-4,6-10H2,1-2H3/b12-5+/t11-/m0/s1
InChIKeyYMWUSCSOAVMSBA-FIJZOYEMSA-N
MW230.31 g/mol
LogP0.75
Rot. Bonds8

About (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine

(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine (PubChem CID 11128124) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine
PubChem CID11128124
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine
SMILESCOC/C=N/N1CCC[C@H]1COCCOC
InChIInChI=1S/C11H22N2O3/c1-14-7-5-12-13-6-3-4-11(13)10-16-9-8-15-2/h5,11H,3-4,6-10H2,1-2H3/b12-5+/t11-/m0/s1
InChIKeyYMWUSCSOAVMSBA-FIJZOYEMSA-N
XLogP0.75
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-triethylsilylethanimine
CID 23241582
(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine
CID 177391876
2-methoxyethoxymethylcyclooctane
CID 3020404
(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
CID 177492712
N-hexa-1,5-dien-3-yl-1-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-imine
CID 11110082
[(1E)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-3-methylbutan-2-yl] acetate
CID 10978077
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
[(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol
CID 89018804
(E,E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-imine
CID 177407968
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine?
The IUPAC name of (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine (CID 11128124) is (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine.
What is the SMILES notation for (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine?
The canonical SMILES for (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine is COC/C=N/N1CCC[C@H]1COCCOC.
What is the InChIKey of (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine?
The InChIKey is YMWUSCSOAVMSBA-FIJZOYEMSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-14-7-5-12-13-6-3-4-11(13)10-16-9-8-15-2/h5,11H,3-4,6-10H2,1-2H3/b12-5+/t11-/m0/s1.
What are the key properties of (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine?
(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine has a molecular weight of 230.31 g/mol, XLogP of 0.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 11128124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).