(E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine

C22H34N2O4 — CID 11165220

IUPAC(E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
SMILESCOC[C@H]1CCCN1/N=C1\[C@@H](C)OC(C)(C)O[C@]1(C)COCc1ccccc1
InChIInChI=1S/C22H34N2O4/c1-17-20(23-24-13-9-12-19(24)15-25-5)22(4,28-21(2,3)27-17)16-26-14-18-10-7-6-8-11-18/h6-8,10-11,17,19H,9,12-16H2,1-5H3/b23-20+/t17-,19-,22-/m1/s1
InChIKeyATJMVKCVGLVJOZ-QYORSUQISA-N
MW390.52 g/mol
LogP3.60
Rot. Bonds7

About (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine

(E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine (PubChem CID 11165220) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine.

Molecular Properties

Compound Name(E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
PubChem CID11165220
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name(E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
SMILESCOC[C@H]1CCCN1/N=C1\[C@@H](C)OC(C)(C)O[C@]1(C)COCc1ccccc1
InChIInChI=1S/C22H34N2O4/c1-17-20(23-24-13-9-12-19(24)15-25-5)22(4,28-21(2,3)27-17)16-26-14-18-10-7-6-8-11-18/h6-8,10-11,17,19H,9,12-16H2,1-5H3/b23-20+/t17-,19-,22-/m1/s1
InChIKeyATJMVKCVGLVJOZ-QYORSUQISA-N
XLogP3.60
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine with MolForge

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Related Compounds

(E,4R)-4-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-phenylethyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-5-imine
CID 134837827
(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(Z,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
CID 16202285
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine
CID 24905695
(E)-N-[(1R,2R,7S,9S)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecan-8-yl]-3-methylbutan-1-imine
CID 134874669
(E,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxy-N-pyrrolidin-1-ylethanimine
CID 134875011
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-[(E)-3-methylhex-2-enoxy]-1-phenylethanimine
CID 134880451
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-(3-methylbut-2-enoxy)-1-phenylethanimine
CID 134880725
(4R,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
CID 134970846
(E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine
CID 10914513
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776

Frequently Asked Questions

What is the IUPAC name of (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine?
The IUPAC name of (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine (CID 11165220) is (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine.
What is the SMILES notation for (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine?
The canonical SMILES for (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine is COC[C@H]1CCCN1/N=C1\[C@@H](C)OC(C)(C)O[C@]1(C)COCc1ccccc1.
What is the InChIKey of (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine?
The InChIKey is ATJMVKCVGLVJOZ-QYORSUQISA-N. The full InChI is InChI=1S/C22H34N2O4/c1-17-20(23-24-13-9-12-19(24)15-25-5)22(4,28-21(2,3)27-17)16-26-14-18-10-7-6-8-11-18/h6-8,10-11,17,19H,9,12-16H2,1-5H3/b23-20+/t17-,19-,22-/m1/s1.
What are the key properties of (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine?
(E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine has a molecular weight of 390.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine is sourced from PubChem (CID 11165220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).