N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine

C28H23N3 — CID 161133606

IUPACN-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine
SMILESC(=NCc1ccccc1)=Nc1cccc2ccccc12.Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2.C10H9N/c1-2-7-15(8-3-1)13-19-14-20-18-12-6-10-16-9-4-5-11-17(16)18;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-12H,13H2;1-7H,11H2
InChIKeyUMMYBYAMHOXVFP-UHFFFAOYSA-N
MW401.51 g/mol
LogP7.27
Rot. Bonds3

About N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine

N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine (PubChem CID 161133606) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine.

Molecular Properties

Compound NameN-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine
PubChem CID161133606
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC NameN-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine
SMILESC(=NCc1ccccc1)=Nc1cccc2ccccc12.Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2.C10H9N/c1-2-7-15(8-3-1)13-19-14-20-18-12-6-10-16-9-4-5-11-17(16)18;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-12H,13H2;1-7H,11H2
InChIKeyUMMYBYAMHOXVFP-UHFFFAOYSA-N
XLogP7.27
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine?
The IUPAC name of N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine (CID 161133606) is N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine.
What is the SMILES notation for N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine?
The canonical SMILES for N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine is C(=NCc1ccccc1)=Nc1cccc2ccccc12.Nc1cccc2ccccc12.
What is the InChIKey of N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine?
The InChIKey is UMMYBYAMHOXVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2.C10H9N/c1-2-7-15(8-3-1)13-19-14-20-18-12-6-10-16-9-4-5-11-17(16)18;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-12H,13H2;1-7H,11H2.
What are the key properties of N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine?
N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine has a molecular weight of 401.51 g/mol, XLogP of 7.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-naphthalen-1-ylmethanediimine;naphthalen-1-amine is sourced from PubChem (CID 161133606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).