2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride

C15H19ClN2O — CID 45260081

IUPAC2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride
SMILESC/N=C(/Cc1ccc2cc(OC)ccc2c1)NC.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-16-15(17-2)9-11-4-5-13-10-14(18-3)7-6-12(13)8-11;/h4-8,10H,9H2,1-3H3,(H,16,17);1H
InChIKeyHKMGLHGCYKDUPL-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.06
Rot. Bonds3

About 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride

2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride (PubChem CID 45260081) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride
PubChem CID45260081
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride
SMILESC/N=C(/Cc1ccc2cc(OC)ccc2c1)NC.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-16-15(17-2)9-11-4-5-13-10-14(18-3)7-6-12(13)8-11;/h4-8,10H,9H2,1-3H3,(H,16,17);1H
InChIKeyHKMGLHGCYKDUPL-UHFFFAOYSA-N
XLogP3.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
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 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride (CID 45260081) is 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride is C/N=C(/Cc1ccc2cc(OC)ccc2c1)NC.Cl.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride?
The InChIKey is HKMGLHGCYKDUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.ClH/c1-16-15(17-2)9-11-4-5-13-10-14(18-3)7-6-12(13)8-11;/h4-8,10H,9H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride?
2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-N,N'-dimethylethanimidamide;hydrochloride is sourced from PubChem (CID 45260081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).