2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride

C18H25ClN2 — CID 45260143

IUPAC2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride
SMILESCC(C)/N=C(/Cc1ccc2ccccc2c1)NC(C)C.Cl
InChIInChI=1S/C18H24N2.ClH/c1-13(2)19-18(20-14(3)4)12-15-9-10-16-7-5-6-8-17(16)11-15;/h5-11,13-14H,12H2,1-4H3,(H,19,20);1H
InChIKeyVBVDNDLUCMTSAW-UHFFFAOYSA-N
MW304.87 g/mol
LogP4.61
Rot. Bonds4

About 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride

2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride (PubChem CID 45260143) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride
PubChem CID45260143
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC Name2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride
SMILESCC(C)/N=C(/Cc1ccc2ccccc2c1)NC(C)C.Cl
InChIInChI=1S/C18H24N2.ClH/c1-13(2)19-18(20-14(3)4)12-15-9-10-16-7-5-6-8-17(16)11-15;/h5-11,13-14H,12H2,1-4H3,(H,19,20);1H
InChIKeyVBVDNDLUCMTSAW-UHFFFAOYSA-N
XLogP4.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 54.61
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-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride?
The IUPAC name of 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride (CID 45260143) is 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride?
The canonical SMILES for 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride is CC(C)/N=C(/Cc1ccc2ccccc2c1)NC(C)C.Cl.
What is the InChIKey of 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride?
The InChIKey is VBVDNDLUCMTSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.ClH/c1-13(2)19-18(20-14(3)4)12-15-9-10-16-7-5-6-8-17(16)11-15;/h5-11,13-14H,12H2,1-4H3,(H,19,20);1H.
What are the key properties of 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride?
2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride has a molecular weight of 304.87 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride is sourced from PubChem (CID 45260143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).