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

C21H32N2O3 — CID 11152617

IUPAC(E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine
SMILESCOC[C@H]1CCCN1/N=C1\[C@@H](C)OC(C)(C)O[C@]1(C)Cc1ccccc1
InChIInChI=1S/C21H32N2O3/c1-16-19(22-23-13-9-12-18(23)15-24-5)21(4,26-20(2,3)25-16)14-17-10-7-6-8-11-17/h6-8,10-11,16,18H,9,12-15H2,1-5H3/b22-19+/t16-,18-,21-/m1/s1
InChIKeyQDQPZDFIKRQNQN-SKDIRNKISA-N
MW360.50 g/mol
LogP3.63
Rot. Bonds5

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

(E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine (PubChem CID 11152617) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine.

Molecular Properties

Compound Name(E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine
PubChem CID11152617
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name(E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine
SMILESCOC[C@H]1CCCN1/N=C1\[C@@H](C)OC(C)(C)O[C@]1(C)Cc1ccccc1
InChIInChI=1S/C21H32N2O3/c1-16-19(22-23-13-9-12-18(23)15-24-5)21(4,26-20(2,3)25-16)14-17-10-7-6-8-11-17/h6-8,10-11,16,18H,9,12-15H2,1-5H3/b22-19+/t16-,18-,21-/m1/s1
InChIKeyQDQPZDFIKRQNQN-SKDIRNKISA-N
XLogP3.63
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-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
(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(1E,2R,3S)-3-ethenyl-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-1-phenylhexan-2-ol
CID 10861994
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(1E,2R,3S)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-methyl-1-phenylpent-4-en-2-ol
CID 15256157
(Z,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
CID 16202285
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(E)-3-phenylprop-2-enyl]oxetan-3-imine
CID 73055851
(Z,2S)-2-benzyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxetan-3-imine
CID 73057857
(1E,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3,3-dimethyl-1-phenylpent-4-en-2-ol
CID 134880371
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-[(E)-3-methylhex-2-enoxy]-1-phenylethanimine
CID 134880451
(1E,2R,3S)-3-ethenyl-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-methyl-1-phenylhexan-2-ol
CID 134880452
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-(3-methylbut-2-enoxy)-1-phenylethanimine
CID 134880725

Frequently Asked Questions

What is the IUPAC name of (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine?
The IUPAC name of (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine (CID 11152617) is (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine.
What is the SMILES notation for (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine?
The canonical SMILES for (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine is COC[C@H]1CCCN1/N=C1\[C@@H](C)OC(C)(C)O[C@]1(C)Cc1ccccc1.
What is the InChIKey of (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine?
The InChIKey is QDQPZDFIKRQNQN-SKDIRNKISA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16-19(22-23-13-9-12-18(23)15-24-5)21(4,26-20(2,3)25-16)14-17-10-7-6-8-11-17/h6-8,10-11,16,18H,9,12-15H2,1-5H3/b22-19+/t16-,18-,21-/m1/s1.
What are the key properties of (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine?
(E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine has a molecular weight of 360.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,6R)-4-benzyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,4,6-tetramethyl-1,3-dioxan-5-imine is sourced from PubChem (CID 11152617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).