1-(2-azidonaphthalen-1-yl)naphthalen-2-amine

C20H14N4 — CID 132545749

IUPAC1-(2-azidonaphthalen-1-yl)naphthalen-2-amine
SMILES[N-]=[N+]=Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C20H14N4/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)23-24-22/h1-12H,21H2
InChIKeyIALBFFKPLBWPCJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP6.18
Rot. Bonds2

About 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine

1-(2-azidonaphthalen-1-yl)naphthalen-2-amine (PubChem CID 132545749) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine.

Molecular Properties

Compound Name1-(2-azidonaphthalen-1-yl)naphthalen-2-amine
PubChem CID132545749
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name1-(2-azidonaphthalen-1-yl)naphthalen-2-amine
SMILES[N-]=[N+]=Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C20H14N4/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)23-24-22/h1-12H,21H2
InChIKeyIALBFFKPLBWPCJ-UHFFFAOYSA-N
XLogP6.18
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine?
The IUPAC name of 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine (CID 132545749) is 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine.
What is the SMILES notation for 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine?
The canonical SMILES for 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine is [N-]=[N+]=Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.
What is the InChIKey of 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine?
The InChIKey is IALBFFKPLBWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)23-24-22/h1-12H,21H2.
What are the key properties of 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine?
1-(2-azidonaphthalen-1-yl)naphthalen-2-amine has a molecular weight of 310.36 g/mol, XLogP of 6.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidonaphthalen-1-yl)naphthalen-2-amine is sourced from PubChem (CID 132545749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).