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

C14H20N2O3 — CID 134883782

IUPACN-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine
SMILESCN(C)/N=C/[C@H]1OCC[C@@H](OCc2ccccc2)O1
InChIInChI=1S/C14H20N2O3/c1-16(2)15-10-14-17-9-8-13(19-14)18-11-12-6-4-3-5-7-12/h3-7,10,13-14H,8-9,11H2,1-2H3/b15-10+/t13-,14-/m0/s1
InChIKeyKVLFLAKZDZXENU-NCEVNFRTSA-N
MW264.33 g/mol
LogP1.84
Rot. Bonds5

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

N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine (PubChem CID 134883782) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine
PubChem CID134883782
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC NameN-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine
SMILESCN(C)/N=C/[C@H]1OCC[C@@H](OCc2ccccc2)O1
InChIInChI=1S/C14H20N2O3/c1-16(2)15-10-14-17-9-8-13(19-14)18-11-12-6-4-3-5-7-12/h3-7,10,13-14H,8-9,11H2,1-2H3/b15-10+/t13-,14-/m0/s1
InChIKeyKVLFLAKZDZXENU-NCEVNFRTSA-N
XLogP1.84
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.84
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'}

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Related Compounds

2-methyl-N-(5-methyl-2-phenyl-1,3-dioxan-5-yl)propan-1-imine oxide
CID 134854883
2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine
CID 134863091
(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine
CID 134871033
(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium
CID 134876798
N-methyl-N-[(E)-2-phenylmethoxyheptylideneamino]methanamine
CID 134877010
N-methyl-N-[(E)-2-(phenylmethoxymethoxy)heptylideneamino]methanamine
CID 134877011
N-methyl-N-[(E)-[(2S,4S)-4-trityloxy-1,3-dioxan-2-yl]methylideneamino]methanamine
CID 134883603
(NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine
CID 118010666
benzyl N-methyl-N-propylethanehydrazonate
CID 123326468
[Ethanehydrazonoyloxy(phenyl)methyl] ethanehydrazonate
CID 123622969
(NE)-N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine
CID 135386446
N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine
CID 135386447

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine (CID 134883782) is N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine is CN(C)/N=C/[C@H]1OCC[C@@H](OCc2ccccc2)O1.
What is the InChIKey of N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine?
The InChIKey is KVLFLAKZDZXENU-NCEVNFRTSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)15-10-14-17-9-8-13(19-14)18-11-12-6-4-3-5-7-12/h3-7,10,13-14H,8-9,11H2,1-2H3/b15-10+/t13-,14-/m0/s1.
What are the key properties of N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine?
N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine has a molecular weight of 264.33 g/mol, XLogP of 1.84, 5 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-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine is sourced from PubChem (CID 134883782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).