sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide

C19H21N2Na — CID 139240453

IUPACsodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide
SMILESC/C(=C/C(C)=N/c1ccccc1C)[N-]c1ccccc1C.[Na+]
InChIInChI=1S/C19H21N2.Na/c1-14-9-5-7-11-18(14)20-16(3)13-17(4)21-19-12-8-6-10-15(19)2;/h5-13H,1-4H3;/q-1;+1/b16-13-,21-17+;
InChIKeyANOJGAFUQHDSND-WNXXUPGRSA-N
MW300.38 g/mol
LogP3.01
Rot. Bonds4

About sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide

sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide (PubChem CID 139240453) has the molecular formula C19H21N2Na and a molecular weight of 300.38 g/mol. Its IUPAC name is sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide.

Molecular Properties

Compound Namesodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide
PubChem CID139240453
Molecular FormulaC19H21N2Na
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Namesodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide
SMILESC/C(=C/C(C)=N/c1ccccc1C)[N-]c1ccccc1C.[Na+]
InChIInChI=1S/C19H21N2.Na/c1-14-9-5-7-11-18(14)20-16(3)13-17(4)21-19-12-8-6-10-15(19)2;/h5-13H,1-4H3;/q-1;+1/b16-13-,21-17+;
InChIKeyANOJGAFUQHDSND-WNXXUPGRSA-N
XLogP3.01
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline
CID 23578391
dichloroiron;methane;bis((2-methylphenyl)-(4-oxopent-2-en-2-yl)azanide)
CID 158501158
cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
CID 139119034
carbanide;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 50907029
carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 146156712
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579
dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)
CID 139184213
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
N-(2-methoxyphenyl)-N'-(2-methylphenyl)ethanimidamide
CID 20660876
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655

Frequently Asked Questions

What is the IUPAC name of sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide?
The IUPAC name of sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide (CID 139240453) is sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide.
What is the SMILES notation for sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide?
The canonical SMILES for sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide is C/C(=C/C(C)=N/c1ccccc1C)[N-]c1ccccc1C.[Na+].
What is the InChIKey of sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide?
The InChIKey is ANOJGAFUQHDSND-WNXXUPGRSA-N. The full InChI is InChI=1S/C19H21N2.Na/c1-14-9-5-7-11-18(14)20-16(3)13-17(4)21-19-12-8-6-10-15(19)2;/h5-13H,1-4H3;/q-1;+1/b16-13-,21-17+;.
What are the key properties of sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide?
sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide has a molecular weight of 300.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide is sourced from PubChem (CID 139240453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).