N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine

C13H19N3O — CID 6901444

IUPACN-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine
SMILESCN(C)/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O/c1-15(2)14-11-12-3-5-13(6-4-12)16-7-9-17-10-8-16/h3-6,11H,7-10H2,1-2H3/b14-11+
InChIKeyCATHMCNWQJTHEW-SDNWHVSQSA-N
MW233.32 g/mol
LogP1.42
Rot. Bonds3

About N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine

N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine (PubChem CID 6901444) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine
PubChem CID6901444
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC NameN-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine
SMILESCN(C)/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H19N3O/c1-15(2)14-11-12-3-5-13(6-4-12)16-7-9-17-10-8-16/h3-6,11H,7-10H2,1-2H3/b14-11+
InChIKeyCATHMCNWQJTHEW-SDNWHVSQSA-N
XLogP1.42
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine (CID 6901444) is N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine is CN(C)/N=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine?
The InChIKey is CATHMCNWQJTHEW-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(2)14-11-12-3-5-13(6-4-12)16-7-9-17-10-8-16/h3-6,11H,7-10H2,1-2H3/b14-11+.
What are the key properties of N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine?
N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine has a molecular weight of 233.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine is sourced from PubChem (CID 6901444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).