N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide

C14H14N2O — CID 142995180

IUPACN'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide
SMILESC=C(/N=C/N)c1ccc2ccccc2c1OC
InChIInChI=1S/C14H14N2O/c1-10(16-9-15)12-8-7-11-5-3-4-6-13(11)14(12)17-2/h3-9H,1H2,2H3,(H2,15,16)
InChIKeyRNPOGLRRWUPLRG-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.81
Rot. Bonds3

About N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide

N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide (PubChem CID 142995180) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide.

Molecular Properties

Compound NameN'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide
PubChem CID142995180
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide
SMILESC=C(/N=C/N)c1ccc2ccccc2c1OC
InChIInChI=1S/C14H14N2O/c1-10(16-9-15)12-8-7-11-5-3-4-6-13(11)14(12)17-2/h3-9H,1H2,2H3,(H2,15,16)
InChIKeyRNPOGLRRWUPLRG-UHFFFAOYSA-N
XLogP2.81
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.81
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 N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide?
The IUPAC name of N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide (CID 142995180) is N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide.
What is the SMILES notation for N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide?
The canonical SMILES for N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide is C=C(/N=C/N)c1ccc2ccccc2c1OC.
What is the InChIKey of N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide?
The InChIKey is RNPOGLRRWUPLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10(16-9-15)12-8-7-11-5-3-4-6-13(11)14(12)17-2/h3-9H,1H2,2H3,(H2,15,16).
What are the key properties of N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide?
N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide has a molecular weight of 226.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-methoxynaphthalen-2-yl)ethenyl]methanimidamide is sourced from PubChem (CID 142995180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).