N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride

C13H21ClN2 — CID 45264433

IUPACN,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride
SMILESCC/N=C(/Cc1cccc(C)c1)NCC.Cl
InChIInChI=1S/C13H20N2.ClH/c1-4-14-13(15-5-2)10-12-8-6-7-11(3)9-12;/h6-9H,4-5,10H2,1-3H3,(H,14,15);1H
InChIKeyXKCWRSUHFKGZGC-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.99
Rot. Bonds4

About N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride

N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride (PubChem CID 45264433) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride
PubChem CID45264433
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride
SMILESCC/N=C(/Cc1cccc(C)c1)NCC.Cl
InChIInChI=1S/C13H20N2.ClH/c1-4-14-13(15-5-2)10-12-8-6-7-11(3)9-12;/h6-9H,4-5,10H2,1-3H3,(H,14,15);1H
InChIKeyXKCWRSUHFKGZGC-UHFFFAOYSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.99
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,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride?
The IUPAC name of N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride (CID 45264433) is N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride is CC/N=C(/Cc1cccc(C)c1)NCC.Cl.
What is the InChIKey of N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride?
The InChIKey is XKCWRSUHFKGZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c1-4-14-13(15-5-2)10-12-8-6-7-11(3)9-12;/h6-9H,4-5,10H2,1-3H3,(H,14,15);1H.
What are the key properties of N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride?
N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 45264433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).