N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide

C11H14N2O — CID 142801431

IUPACN'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\OCC)c1cccc(C)c1
InChIInChI=1S/C11H14N2O/c1-4-14-13-11(12-3)10-7-5-6-9(2)8-10/h5-8H,3-4H2,1-2H3/b13-11-
InChIKeyWTFMPIFTZCIJON-QBFSEMIESA-N
MW190.25 g/mol
LogP2.39
Rot. Bonds3

About N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide

N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide (PubChem CID 142801431) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide
PubChem CID142801431
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\OCC)c1cccc(C)c1
InChIInChI=1S/C11H14N2O/c1-4-14-13-11(12-3)10-7-5-6-9(2)8-10/h5-8H,3-4H2,1-2H3/b13-11-
InChIKeyWTFMPIFTZCIJON-QBFSEMIESA-N
XLogP2.39
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',3-dimethyl-N-methylidenebenzenecarboximidamide
CID 144989713
(2Z)-2-ethoxyimino-2-(3-methylphenyl)ethanethiol;propane
CID 142869456
1-(3-methylphenyl)-N-prop-2-enoxypropan-1-imine
CID 173346929
1-(3-methylphenyl)butan-1-one
CID 4304992
ethane;2-[(E)-1-(3-methylphenyl)ethylideneamino]oxyethanamine
CID 144576154
ethyl 6-(3-methylphenyl)-6-oxohexanoate
CID 24727324
1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene
CID 146207434
N-but-2-enoxy-1-(3-methylphenyl)ethanimine
CID 173323571
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
1-(3-methylphenyl)but-3-en-1-one
CID 61380184
(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
CID 174102680
CID 174102680

Frequently Asked Questions

What is the IUPAC name of N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide (CID 142801431) is N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide is C=N/C(=N\OCC)c1cccc(C)c1.
What is the InChIKey of N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide?
The InChIKey is WTFMPIFTZCIJON-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-14-13-11(12-3)10-7-5-6-9(2)8-10/h5-8H,3-4H2,1-2H3/b13-11-.
What are the key properties of N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide?
N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide has a molecular weight of 190.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethoxy-3-methyl-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 142801431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).