2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride

C16H20Cl2N2 — CID 45260207

IUPAC2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride
SMILESCC/N=C(/Cc1ccc2ccccc2c1Cl)NCC.Cl
InChIInChI=1S/C16H19ClN2.ClH/c1-3-18-15(19-4-2)11-13-10-9-12-7-5-6-8-14(12)16(13)17;/h5-10H,3-4,11H2,1-2H3,(H,18,19);1H
InChIKeyVJWKQWYDWWVTGQ-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.49
Rot. Bonds4

About 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride

2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride (PubChem CID 45260207) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride
PubChem CID45260207
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride
SMILESCC/N=C(/Cc1ccc2ccccc2c1Cl)NCC.Cl
InChIInChI=1S/C16H19ClN2.ClH/c1-3-18-15(19-4-2)11-13-10-9-12-7-5-6-8-14(12)16(13)17;/h5-10H,3-4,11H2,1-2H3,(H,18,19);1H
InChIKeyVJWKQWYDWWVTGQ-UHFFFAOYSA-N
XLogP4.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.49
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 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride?
The IUPAC name of 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride (CID 45260207) is 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride.
What is the SMILES notation for 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride?
The canonical SMILES for 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride is CC/N=C(/Cc1ccc2ccccc2c1Cl)NCC.Cl.
What is the InChIKey of 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride?
The InChIKey is VJWKQWYDWWVTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2.ClH/c1-3-18-15(19-4-2)11-13-10-9-12-7-5-6-8-14(12)16(13)17;/h5-10H,3-4,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride?
2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride has a molecular weight of 311.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride is sourced from PubChem (CID 45260207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).