1-naphthalen-1-ylethanimine

C12H11N — CID 597838

IUPAC1-naphthalen-1-ylethanimine
SMILES[H]/N=C(\C)c1cccc2ccccc12
InChIInChI=1S/C12H11N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8,13H,1H3/b13-9+
InChIKeyKMMGAUINEULPQS-UKTHLTGXSA-N
MW169.23 g/mol
LogP3.23
Rot. Bonds1

About 1-naphthalen-1-ylethanimine

1-naphthalen-1-ylethanimine (PubChem CID 597838) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-naphthalen-1-ylethanimine.

Molecular Properties

Compound Name1-naphthalen-1-ylethanimine
PubChem CID597838
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name1-naphthalen-1-ylethanimine
SMILES[H]/N=C(\C)c1cccc2ccccc12
InChIInChI=1S/C12H11N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8,13H,1H3/b13-9+
InChIKeyKMMGAUINEULPQS-UKTHLTGXSA-N
XLogP3.23
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
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 1-naphthalen-1-ylethanimine?
The IUPAC name of 1-naphthalen-1-ylethanimine (CID 597838) is 1-naphthalen-1-ylethanimine.
What is the SMILES notation for 1-naphthalen-1-ylethanimine?
The canonical SMILES for 1-naphthalen-1-ylethanimine is [H]/N=C(\C)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylethanimine?
The InChIKey is KMMGAUINEULPQS-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8,13H,1H3/b13-9+.
What are the key properties of 1-naphthalen-1-ylethanimine?
1-naphthalen-1-ylethanimine has a molecular weight of 169.23 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylethanimine is sourced from PubChem (CID 597838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).