N-naphthalen-1-ylmethanimine

C11H9N — CID 15169364

IUPACN-naphthalen-1-ylmethanimine
SMILESC=Nc1cccc2ccccc12
InChIInChI=1S/C11H9N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H2
InChIKeyVQGXTTSCXYIUPM-UHFFFAOYSA-N
MW155.20 g/mol
LogP3.17
Rot. Bonds1

About N-naphthalen-1-ylmethanimine

N-naphthalen-1-ylmethanimine (PubChem CID 15169364) has the molecular formula C11H9N and a molecular weight of 155.20 g/mol. Its IUPAC name is N-naphthalen-1-ylmethanimine.

Molecular Properties

Compound NameN-naphthalen-1-ylmethanimine
PubChem CID15169364
Molecular FormulaC11H9N
Molecular Weight155.20 g/mol
Exact Mass155.07
IUPAC NameN-naphthalen-1-ylmethanimine
SMILESC=Nc1cccc2ccccc12
InChIInChI=1S/C11H9N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H2
InChIKeyVQGXTTSCXYIUPM-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-ylmethanimine?
The IUPAC name of N-naphthalen-1-ylmethanimine (CID 15169364) is N-naphthalen-1-ylmethanimine.
What is the SMILES notation for N-naphthalen-1-ylmethanimine?
The canonical SMILES for N-naphthalen-1-ylmethanimine is C=Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-ylmethanimine?
The InChIKey is VQGXTTSCXYIUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H2.
What are the key properties of N-naphthalen-1-ylmethanimine?
N-naphthalen-1-ylmethanimine has a molecular weight of 155.20 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylmethanimine is sourced from PubChem (CID 15169364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).