8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine

C26H24N4 — CID 155553737

IUPAC8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine
SMILESNc1cccc2cccc(/N=C3/CCC/C(=N\c4cccc5cccc(N)c45)C3)c12
InChIInChI=1S/C26H24N4/c27-21-12-1-6-17-8-3-14-23(25(17)21)29-19-10-5-11-20(16-19)30-24-15-4-9-18-7-2-13-22(28)26(18)24/h1-4,6-9,12-15H,5,10-11,16,27-28H2/b29-19-,30-20+
InChIKeyZCWMPGKFNCYSDZ-GOLAWLNDSA-N
MW392.51 g/mol
LogP6.58
Rot. Bonds2

About 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine

8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine (PubChem CID 155553737) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine.

Molecular Properties

Compound Name8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine
PubChem CID155553737
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC Name8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine
SMILESNc1cccc2cccc(/N=C3/CCC/C(=N\c4cccc5cccc(N)c45)C3)c12
InChIInChI=1S/C26H24N4/c27-21-12-1-6-17-8-3-14-23(25(17)21)29-19-10-5-11-20(16-19)30-24-15-4-9-18-7-2-13-22(28)26(18)24/h1-4,6-9,12-15H,5,10-11,16,27-28H2/b29-19-,30-20+
InChIKeyZCWMPGKFNCYSDZ-GOLAWLNDSA-N
XLogP6.58
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine?
The IUPAC name of 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine (CID 155553737) is 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine.
What is the SMILES notation for 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine?
The canonical SMILES for 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine is Nc1cccc2cccc(/N=C3/CCC/C(=N\c4cccc5cccc(N)c45)C3)c12.
What is the InChIKey of 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine?
The InChIKey is ZCWMPGKFNCYSDZ-GOLAWLNDSA-N. The full InChI is InChI=1S/C26H24N4/c27-21-12-1-6-17-8-3-14-23(25(17)21)29-19-10-5-11-20(16-19)30-24-15-4-9-18-7-2-13-22(28)26(18)24/h1-4,6-9,12-15H,5,10-11,16,27-28H2/b29-19-,30-20+.
What are the key properties of 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine?
8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine has a molecular weight of 392.51 g/mol, XLogP of 6.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(8-aminonaphthalen-1-yl)iminocyclohexylidene]amino]naphthalen-1-amine is sourced from PubChem (CID 155553737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).