N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide

C16H18N4 — CID 145320912

IUPACN'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
SMILESCc1ccccc1/C(N)=N/N=C(\N)c1ccccc1C
InChIInChI=1S/C16H18N4/c1-11-7-3-5-9-13(11)15(17)19-20-16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyTWBOCBCSJPESGE-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.33
Rot. Bonds3

About N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide

N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide (PubChem CID 145320912) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
PubChem CID145320912
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
SMILESCc1ccccc1/C(N)=N/N=C(\N)c1ccccc1C
InChIInChI=1S/C16H18N4/c1-11-7-3-5-9-13(11)15(17)19-20-16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyTWBOCBCSJPESGE-UHFFFAOYSA-N
XLogP2.33
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
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-[amino-(2-methylphenyl)methylidene]acetamide
CID 153172405
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
CID 145320894
N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
CID 145320923
2-methylbenzamide;molecular hydrogen
CID 177161283
N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide
CID 102311054
(4-methylphenyl) N-[amino-(2-methylphenyl)methylidene]carbamodithioate
CID 159366844
1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine
CID 122210374
2-(2-methylphenyl)prop-2-enamide
CID 23202678
[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium
CID 142975902
[1-(2-methylphenyl)ethylideneamino]thiourea
CID 76872325
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide (CID 145320912) is N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide is Cc1ccccc1/C(N)=N/N=C(\N)c1ccccc1C.
What is the InChIKey of N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide?
The InChIKey is TWBOCBCSJPESGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-7-3-5-9-13(11)15(17)19-20-16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,17,19)(H2,18,20).
What are the key properties of N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide?
N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide has a molecular weight of 266.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 145320912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).