N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride

C15H23ClN2 — CID 45260627

IUPACN'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride
SMILESC/C(=N\C1CCCCC1)Nc1ccccc1C.Cl
InChIInChI=1S/C15H22N2.ClH/c1-12-8-6-7-11-15(12)17-13(2)16-14-9-4-3-5-10-14;/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,16,17);1H
InChIKeyIVYSGJGDWHBMSH-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.58
Rot. Bonds2

About N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride

N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride (PubChem CID 45260627) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride
PubChem CID45260627
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride
SMILESC/C(=N\C1CCCCC1)Nc1ccccc1C.Cl
InChIInChI=1S/C15H22N2.ClH/c1-12-8-6-7-11-15(12)17-13(2)16-14-9-4-3-5-10-14;/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,16,17);1H
InChIKeyIVYSGJGDWHBMSH-UHFFFAOYSA-N
XLogP4.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride?
The IUPAC name of N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride (CID 45260627) is N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride is C/C(=N\C1CCCCC1)Nc1ccccc1C.Cl.
What is the InChIKey of N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride?
The InChIKey is IVYSGJGDWHBMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.ClH/c1-12-8-6-7-11-15(12)17-13(2)16-14-9-4-3-5-10-14;/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,16,17);1H.
What are the key properties of N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride?
N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride has a molecular weight of 266.82 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(2-methylphenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 45260627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).