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

C21H32N2O4 — CID 11036191

IUPAC(Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine
SMILESCOC[C@@H]1CCCN1/N=C1/[C@H](C)OC(C)(C)O[C@H]1COCc1ccccc1
InChIInChI=1S/C21H32N2O4/c1-16-20(22-23-12-8-11-18(23)14-24-4)19(27-21(2,3)26-16)15-25-13-17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,8,11-15H2,1-4H3/b22-20-/t16-,18-,19-/m0/s1
InChIKeyRBURFTVAJSXBQL-GHGDRPKOSA-N
MW376.50 g/mol
LogP3.21
Rot. Bonds7

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

(Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine (PubChem CID 11036191) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine.

Molecular Properties

Compound Name(Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine
PubChem CID11036191
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine
SMILESCOC[C@@H]1CCCN1/N=C1/[C@H](C)OC(C)(C)O[C@H]1COCc1ccccc1
InChIInChI=1S/C21H32N2O4/c1-16-20(22-23-12-8-11-18(23)14-24-4)19(27-21(2,3)26-16)15-25-13-17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,8,11-15H2,1-4H3/b22-20-/t16-,18-,19-/m0/s1
InChIKeyRBURFTVAJSXBQL-GHGDRPKOSA-N
XLogP3.21
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine
CID 25068073
(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
(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
(E)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxyethanimine
CID 11066207
(E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine
CID 11152617
(E,4S,6R)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
CID 11165220

Frequently Asked Questions

What is the IUPAC name of (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine?
The IUPAC name of (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine (CID 11036191) is (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine.
What is the SMILES notation for (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine?
The canonical SMILES for (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine is COC[C@@H]1CCCN1/N=C1/[C@H](C)OC(C)(C)O[C@H]1COCc1ccccc1.
What is the InChIKey of (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine?
The InChIKey is RBURFTVAJSXBQL-GHGDRPKOSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16-20(22-23-12-8-11-18(23)14-24-4)19(27-21(2,3)26-16)15-25-13-17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,8,11-15H2,1-4H3/b22-20-/t16-,18-,19-/m0/s1.
What are the key properties of (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine?
(Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine has a molecular weight of 376.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S,6R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4-trimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-5-imine is sourced from PubChem (CID 11036191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).