2-naphthalen-1-yliminoethanamine

C12H12N2 — CID 91450667

IUPAC2-naphthalen-1-yliminoethanamine
SMILESNC/C=N/c1cccc2ccccc12
InChIInChI=1S/C12H12N2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8,13H2/b14-9+
InChIKeyIVWBWEZBBZRHSU-NTEUORMPSA-N
MW184.24 g/mol
LogP2.50
Rot. Bonds2

About 2-naphthalen-1-yliminoethanamine

2-naphthalen-1-yliminoethanamine (PubChem CID 91450667) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-naphthalen-1-yliminoethanamine.

Molecular Properties

Compound Name2-naphthalen-1-yliminoethanamine
PubChem CID91450667
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-naphthalen-1-yliminoethanamine
SMILESNC/C=N/c1cccc2ccccc12
InChIInChI=1S/C12H12N2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8,13H2/b14-9+
InChIKeyIVWBWEZBBZRHSU-NTEUORMPSA-N
XLogP2.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-naphthalen-1-yliminoethanamine?
The IUPAC name of 2-naphthalen-1-yliminoethanamine (CID 91450667) is 2-naphthalen-1-yliminoethanamine.
What is the SMILES notation for 2-naphthalen-1-yliminoethanamine?
The canonical SMILES for 2-naphthalen-1-yliminoethanamine is NC/C=N/c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yliminoethanamine?
The InChIKey is IVWBWEZBBZRHSU-NTEUORMPSA-N. The full InChI is InChI=1S/C12H12N2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9H,8,13H2/b14-9+.
What are the key properties of 2-naphthalen-1-yliminoethanamine?
2-naphthalen-1-yliminoethanamine has a molecular weight of 184.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yliminoethanamine is sourced from PubChem (CID 91450667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).