N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide

C18H27N3 — CID 21450514

IUPACN-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide
SMILESCc1ccc(/N=C/N(C)/C=N/CC2CCCCC2)c(C)c1
InChIInChI=1S/C18H27N3/c1-15-9-10-18(16(2)11-15)20-14-21(3)13-19-12-17-7-5-4-6-8-17/h9-11,13-14,17H,4-8,12H2,1-3H3/b19-13+,20-14+
InChIKeyACEKOLJMQPVGLI-IWGRKNQJSA-N
MW285.44 g/mol
LogP4.50
Rot. Bonds5

About N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide

N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide (PubChem CID 21450514) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide.

Molecular Properties

Compound NameN-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide
PubChem CID21450514
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide
SMILESCc1ccc(/N=C/N(C)/C=N/CC2CCCCC2)c(C)c1
InChIInChI=1S/C18H27N3/c1-15-9-10-18(16(2)11-15)20-14-21(3)13-19-12-17-7-5-4-6-8-17/h9-11,13-14,17H,4-8,12H2,1-3H3/b19-13+,20-14+
InChIKeyACEKOLJMQPVGLI-IWGRKNQJSA-N
XLogP4.50
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide?
The IUPAC name of N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide (CID 21450514) is N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide.
What is the SMILES notation for N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide?
The canonical SMILES for N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide is Cc1ccc(/N=C/N(C)/C=N/CC2CCCCC2)c(C)c1.
What is the InChIKey of N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide?
The InChIKey is ACEKOLJMQPVGLI-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H27N3/c1-15-9-10-18(16(2)11-15)20-14-21(3)13-19-12-17-7-5-4-6-8-17/h9-11,13-14,17H,4-8,12H2,1-3H3/b19-13+,20-14+.
What are the key properties of N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide?
N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide has a molecular weight of 285.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyliminomethyl)-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide is sourced from PubChem (CID 21450514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).