N'-(2,3-diethylphenyl)methanediimine

C11H14N2 — CID 154466708

IUPACN'-(2,3-diethylphenyl)methanediimine
SMILESCCc1cccc(N=C=N)c1CC
InChIInChI=1S/C11H14N2/c1-3-9-6-5-7-11(13-8-12)10(9)4-2/h5-7,12H,3-4H2,1-2H3
InChIKeySWCBYXLWSQWXEB-UHFFFAOYSA-N
MW174.25 g/mol
LogP3.20
Rot. Bonds3

About N'-(2,3-diethylphenyl)methanediimine

N'-(2,3-diethylphenyl)methanediimine (PubChem CID 154466708) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N'-(2,3-diethylphenyl)methanediimine.

Molecular Properties

Compound NameN'-(2,3-diethylphenyl)methanediimine
PubChem CID154466708
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN'-(2,3-diethylphenyl)methanediimine
SMILESCCc1cccc(N=C=N)c1CC
InChIInChI=1S/C11H14N2/c1-3-9-6-5-7-11(13-8-12)10(9)4-2/h5-7,12H,3-4H2,1-2H3
InChIKeySWCBYXLWSQWXEB-UHFFFAOYSA-N
XLogP3.20
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2-diethyl-3-isothiocyanatobenzene
CID 122700830
N'-(2,3-diethylphenyl)-N-phenylmethanediimine
CID 87072891
1-ethyl-2-hexyl-3-isocyanatobenzene
CID 88782236
N-[(2,3-diethylphenyl)diazenyl]aniline
CID 70579613
1-ethyl-2-isocyanatobenzene
CID 583486
(2-ethyl-6-methylphenyl)methylphosphane
CID 68944647
(2,3-diethylphenyl) cyanate
CID 141200893
N-[(2-ethyl-6-isocyanatophenyl)methoxy]butan-2-imine
CID 118459573
N-[(2-ethyl-6-isocyanatophenyl)methoxy]propanamide
CID 90192947
1,3-diisocyanato-2-propylbenzene
CID 141450228
2-(2,3-diethylphenyl)isoindole-1,3-dione
CID 67993045
2-butyl-1,3-diisocyanatobenzene
CID 87259034

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-diethylphenyl)methanediimine?
The IUPAC name of N'-(2,3-diethylphenyl)methanediimine (CID 154466708) is N'-(2,3-diethylphenyl)methanediimine.
What is the SMILES notation for N'-(2,3-diethylphenyl)methanediimine?
The canonical SMILES for N'-(2,3-diethylphenyl)methanediimine is CCc1cccc(N=C=N)c1CC.
What is the InChIKey of N'-(2,3-diethylphenyl)methanediimine?
The InChIKey is SWCBYXLWSQWXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-9-6-5-7-11(13-8-12)10(9)4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N'-(2,3-diethylphenyl)methanediimine?
N'-(2,3-diethylphenyl)methanediimine has a molecular weight of 174.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-diethylphenyl)methanediimine is sourced from PubChem (CID 154466708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).