2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide

C28H36N6O — CID 155133612

IUPAC2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide
SMILESCOc1ccc(Nc2ccc(N(C)c3ccc(C4CCCCC4)cc3)cc2C)c(/C(N)=N/NN)c1
InChIInChI=1S/C28H36N6O/c1-19-17-23(34(2)22-11-9-21(10-12-22)20-7-5-4-6-8-20)13-15-26(19)31-27-16-14-24(35-3)18-25(27)28(29)32-33-30/h9-18,20,31,33H,4-8,30H2,1-3H3,(H2,29,32)
InChIKeyABJZTNXUXCHBFP-UHFFFAOYSA-N
MW472.64 g/mol
LogP5.65
Rot. Bonds8

About 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide

2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide (PubChem CID 155133612) has the molecular formula C28H36N6O and a molecular weight of 472.64 g/mol. Its IUPAC name is 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide
PubChem CID155133612
Molecular FormulaC28H36N6O
Molecular Weight472.64 g/mol
Exact Mass472.30
IUPAC Name2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide
SMILESCOc1ccc(Nc2ccc(N(C)c3ccc(C4CCCCC4)cc3)cc2C)c(/C(N)=N/NN)c1
InChIInChI=1S/C28H36N6O/c1-19-17-23(34(2)22-11-9-21(10-12-22)20-7-5-4-6-8-20)13-15-26(19)31-27-16-14-24(35-3)18-25(27)28(29)32-33-30/h9-18,20,31,33H,4-8,30H2,1-3H3,(H2,29,32)
InChIKeyABJZTNXUXCHBFP-UHFFFAOYSA-N
XLogP5.65
TPSA100.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 55.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}

Analyze 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide?
The IUPAC name of 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide (CID 155133612) is 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide is COc1ccc(Nc2ccc(N(C)c3ccc(C4CCCCC4)cc3)cc2C)c(/C(N)=N/NN)c1.
What is the InChIKey of 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide?
The InChIKey is ABJZTNXUXCHBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O/c1-19-17-23(34(2)22-11-9-21(10-12-22)20-7-5-4-6-8-20)13-15-26(19)31-27-16-14-24(35-3)18-25(27)28(29)32-33-30/h9-18,20,31,33H,4-8,30H2,1-3H3,(H2,29,32).
What are the key properties of 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide?
2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide has a molecular weight of 472.64 g/mol, XLogP of 5.65, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexyl-N-methylanilino)-2-methylanilino]-N'-hydrazinyl-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 155133612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).