1-naphthalen-1-ylethane-1,2-diimine

C12H10N2 — CID 54333687

IUPAC1-naphthalen-1-ylethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])c1cccc2ccccc12
InChIInChI=1S/C12H10N2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13-14H/b13-8+,14-12+
InChIKeyTTYFMIACFALPJI-LMLHBTEYSA-N
MW182.23 g/mol
LogP2.86
Rot. Bonds2

About 1-naphthalen-1-ylethane-1,2-diimine

1-naphthalen-1-ylethane-1,2-diimine (PubChem CID 54333687) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-naphthalen-1-ylethane-1,2-diimine.

Molecular Properties

Compound Name1-naphthalen-1-ylethane-1,2-diimine
PubChem CID54333687
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-naphthalen-1-ylethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])c1cccc2ccccc12
InChIInChI=1S/C12H10N2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13-14H/b13-8+,14-12+
InChIKeyTTYFMIACFALPJI-LMLHBTEYSA-N
XLogP2.86
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-hydrazinylidene-1-naphthalen-1-ylethanimine
CID 89107539
CID 13383371
CID 13383371
(E)-2-(dimethylamino)-4-imino-3-naphthalen-1-ylbut-2-enamide;ethene
CID 143625729
2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
CID 144780579
4-(naphthalene-1-carboximidoyl)benzene-1,3-diol
CID 135801521
1-quinoxalin-2-ylethane-1,2-diimine
CID 166992824
2,2,2-trifluoro-1-naphthalen-1-ylethanethione
CID 23496318
1-(1-bromoprop-1-en-2-yl)naphthalene
CID 158497087
naphthalene-1-carbonyl iodide
CID 87393513
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
diazene;naphthalen-1-amine
CID 142081772

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylethane-1,2-diimine?
The IUPAC name of 1-naphthalen-1-ylethane-1,2-diimine (CID 54333687) is 1-naphthalen-1-ylethane-1,2-diimine.
What is the SMILES notation for 1-naphthalen-1-ylethane-1,2-diimine?
The canonical SMILES for 1-naphthalen-1-ylethane-1,2-diimine is [H]/N=C(\C=N\[H])c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylethane-1,2-diimine?
The InChIKey is TTYFMIACFALPJI-LMLHBTEYSA-N. The full InChI is InChI=1S/C12H10N2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,13-14H/b13-8+,14-12+.
What are the key properties of 1-naphthalen-1-ylethane-1,2-diimine?
1-naphthalen-1-ylethane-1,2-diimine has a molecular weight of 182.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylethane-1,2-diimine is sourced from PubChem (CID 54333687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).