N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine

C26H28N2O3 — CID 134883603

IUPACN-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine
SMILESCN(C)/N=C/[C@H]1OCC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C26H28N2O3/c1-28(2)27-20-25-29-19-18-24(30-25)31-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-25H,18-19H2,1-2H3/b27-20+/t24-,25+/m1/s1
InChIKeyJTYFJVJKFNEONE-OAXGPSHZSA-N
MW416.52 g/mol
LogP4.63
Rot. Bonds7

About N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine

N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine (PubChem CID 134883603) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine
PubChem CID134883603
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine
SMILESCN(C)/N=C/[C@H]1OCC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C26H28N2O3/c1-28(2)27-20-25-29-19-18-24(30-25)31-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-25H,18-19H2,1-2H3/b27-20+/t24-,25+/m1/s1
InChIKeyJTYFJVJKFNEONE-OAXGPSHZSA-N
XLogP4.63
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine with MolForge

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Related Compounds

N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine
CID 134877011
N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine
CID 134883782
N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine
CID 10780271
N-methyl-N-[(E)-[(2S,4R,6S)-4-methyl-2-phenyl-6-prop-2-enyl-1,3-dioxan-5-ylidene]amino]methanamine
CID 10869496
N-methyl-N-[(2-phenyl-1,3-dioxan-5-ylidene)amino]methanamine
CID 85753891
N-methyl-N-[(Z)-[(2S,4R,6S)-4-methyl-2-phenyl-6-prop-2-enyl-1,3-dioxan-5-ylidene]amino]methanamine
CID 101128555
N-methyl-N-[(Z)-[(2S,4S,6S)-4-methyl-2-phenyl-6-prop-2-enyl-1,3-dioxan-5-ylidene]amino]methanamine
CID 101128556

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine (CID 134883603) is N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine is CN(C)/N=C/[C@H]1OCC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine?
The InChIKey is JTYFJVJKFNEONE-OAXGPSHZSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-28(2)27-20-25-29-19-18-24(30-25)31-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-25H,18-19H2,1-2H3/b27-20+/t24-,25+/m1/s1.
What are the key properties of N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine?
N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine has a molecular weight of 416.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine is sourced from PubChem (CID 134883603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).