N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine

C18H20N2O2 — CID 10780271

IUPACN-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H20N2O2/c1-20(2)19-13-16-21-17(14-9-5-3-6-10-14)18(22-16)15-11-7-4-8-12-15/h3-13,16-18H,1-2H3/b19-13+/t17-,18-/m0/s1
InChIKeyCSTVUYKONWDASL-CVRYGXJASA-N
MW296.37 g/mol
LogP3.39
Rot. Bonds4

About N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine

N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine (PubChem CID 10780271) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine
PubChem CID10780271
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine
SMILESCN(C)/N=C/C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H20N2O2/c1-20(2)19-13-16-21-17(14-9-5-3-6-10-14)18(22-16)15-11-7-4-8-12-15/h3-13,16-18H,1-2H3/b19-13+/t17-,18-/m0/s1
InChIKeyCSTVUYKONWDASL-CVRYGXJASA-N
XLogP3.39
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-[(E)-[(2R)-3,3-difluoro-3-phenyl-2-phenylmethoxypropylidene]amino]-N-methylmethanamine
CID 15038954
(E,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxy-N-pyrrolidin-1-ylethanimine
CID 134875011
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
N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine
CID 134883782
N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine
CID 135003751
[2-acetyloxy-6-[(Z)-(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 6152359
2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine
CID 11770956
[2-Acetyloxy-6-[(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 321458
4,5-Bis(benzyloxy)-6-[(E)-(dimethylhydrazinylidene)methyl]oxane-2,3-diyl diacetate
CID 9555226
N-methyl-N-[(E)-[(2S,4R,6S)-4-methyl-2-phenyl-6-prop-2-enyl-1,3-dioxan-5-ylidene]amino]methanamine
CID 10869496
(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2-methylpropan-1-imine
CID 10946355

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine (CID 10780271) is N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine is CN(C)/N=C/C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine?
The InChIKey is CSTVUYKONWDASL-CVRYGXJASA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(2)19-13-16-21-17(14-9-5-3-6-10-14)18(22-16)15-11-7-4-8-12-15/h3-13,16-18H,1-2H3/b19-13+/t17-,18-/m0/s1.
What are the key properties of N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine?
N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine has a molecular weight of 296.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4S,5S)-4,5-diphenyl-1,3-dioxolan-2-yl]methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 10780271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).