2-(naphthalene-1-carboximidoyl)naphthalen-1-amine

C21H16N2 — CID 144780579

IUPAC2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
SMILES[H]/N=C(/c1ccc2ccccc2c1N)c1cccc2ccccc12
InChIInChI=1S/C21H16N2/c22-20-17-10-4-2-7-15(17)12-13-19(20)21(23)18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H,22H2/b23-21+
InChIKeyQEQMHAMUJOMHCK-XTQSDGFTSA-N
MW296.37 g/mol
LogP4.99
Rot. Bonds2

About 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine

2-(naphthalene-1-carboximidoyl)naphthalen-1-amine (PubChem CID 144780579) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine.

Molecular Properties

Compound Name2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
PubChem CID144780579
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
SMILES[H]/N=C(/c1ccc2ccccc2c1N)c1cccc2ccccc12
InChIInChI=1S/C21H16N2/c22-20-17-10-4-2-7-15(17)12-13-19(20)21(23)18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H,22H2/b23-21+
InChIKeyQEQMHAMUJOMHCK-XTQSDGFTSA-N
XLogP4.99
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(naphthalene-1-carboximidoyl)benzene-1,3-diol
CID 135801521
CID 13383371
CID 13383371
1-aminonaphthalene-2-carbonyl iodide
CID 89199077
(2Z)-2-hydrazinylidene-1-naphthalen-1-ylethanimine
CID 89107539
1-naphthalen-1-ylethane-1,2-diimine
CID 54333687
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
(3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline
CID 144780245
diazene;naphthalen-1-amine
CID 142081772
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
CID 67495002
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 59534009
1-formylnaphthalene-2-carboximidamide
CID 54198572
1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone
CID 70563290

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine?
The IUPAC name of 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine (CID 144780579) is 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine.
What is the SMILES notation for 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine?
The canonical SMILES for 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine is [H]/N=C(/c1ccc2ccccc2c1N)c1cccc2ccccc12.
What is the InChIKey of 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine?
The InChIKey is QEQMHAMUJOMHCK-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H16N2/c22-20-17-10-4-2-7-15(17)12-13-19(20)21(23)18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H,22H2/b23-21+.
What are the key properties of 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine?
2-(naphthalene-1-carboximidoyl)naphthalen-1-amine has a molecular weight of 296.37 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalene-1-carboximidoyl)naphthalen-1-amine is sourced from PubChem (CID 144780579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).