1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide

C16H15N5 — CID 13482019

IUPAC1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide
SMILESCc1ccc(/N=N/C(C#N)=N/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H15N5/c1-12-3-7-14(8-4-12)18-20-16(11-17)21-19-15-9-5-13(2)6-10-15/h3-10,18H,1-2H3/b20-16+,21-19+
InChIKeyOBGVMZLBOOGORA-WMPBZCDFSA-N
MW277.33 g/mol
LogP4.34
Rot. Bonds3

About 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide

1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide (PubChem CID 13482019) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide.

Molecular Properties

Compound Name1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide
PubChem CID13482019
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide
SMILESCc1ccc(/N=N/C(C#N)=N/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H15N5/c1-12-3-7-14(8-4-12)18-20-16(11-17)21-19-15-9-5-13(2)6-10-15/h3-10,18H,1-2H3/b20-16+,21-19+
InChIKeyOBGVMZLBOOGORA-WMPBZCDFSA-N
XLogP4.34
TPSA72.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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

1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide
CID 3914053
1-cyano-N'-(3,4-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]iminomethanimidamide
CID 70614495
[4-[2-[cyano-[[4-(trifluoromethyl)phenyl]diazenyl]methylidene]hydrazinyl]phenyl] trifluoromethanesulfonate
CID 173356280
N-(4-methylanilino)-2-oxopropanimidoyl cyanide
CID 563292
(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
CID 5368595
methyl (2Z)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 5361255
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
CID 59951194
bis(4-methylphenyl)diazene
CID 10389
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
CID 6293273
4-isothiocyanato-N-(propan-2-ylideneamino)aniline
CID 119092702
2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169339100
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide?
The IUPAC name of 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide (CID 13482019) is 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide.
What is the SMILES notation for 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide?
The canonical SMILES for 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide is Cc1ccc(/N=N/C(C#N)=N/Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide?
The InChIKey is OBGVMZLBOOGORA-WMPBZCDFSA-N. The full InChI is InChI=1S/C16H15N5/c1-12-3-7-14(8-4-12)18-20-16(11-17)21-19-15-9-5-13(2)6-10-15/h3-10,18H,1-2H3/b20-16+,21-19+.
What are the key properties of 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide?
1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide has a molecular weight of 277.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N'-(4-methylanilino)-N-(4-methylphenyl)iminomethanimidamide is sourced from PubChem (CID 13482019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).