N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide

C13H16N2O — CID 19868678

IUPACN'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide
SMILESCC1(C/C(N)=N/O)CC=Cc2ccccc21
InChIInChI=1S/C13H16N2O/c1-13(9-12(14)15-16)8-4-6-10-5-2-3-7-11(10)13/h2-7,16H,8-9H2,1H3,(H2,14,15)
InChIKeyDSAZWATXNPRXRD-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.50
Rot. Bonds2

About N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide

N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide (PubChem CID 19868678) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide
PubChem CID19868678
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide
SMILESCC1(C/C(N)=N/O)CC=Cc2ccccc21
InChIInChI=1S/C13H16N2O/c1-13(9-12(14)15-16)8-4-6-10-5-2-3-7-11(10)13/h2-7,16H,8-9H2,1H3,(H2,14,15)
InChIKeyDSAZWATXNPRXRD-UHFFFAOYSA-N
XLogP2.50
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide (CID 19868678) is N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide is CC1(C/C(N)=N/O)CC=Cc2ccccc21.
What is the InChIKey of N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide?
The InChIKey is DSAZWATXNPRXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(9-12(14)15-16)8-4-6-10-5-2-3-7-11(10)13/h2-7,16H,8-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide?
N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide has a molecular weight of 216.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide is sourced from PubChem (CID 19868678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).