N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine

C28H28N2 — CID 6478470

IUPACN-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine
SMILESCN(Cc1cccc2ccccc12)/N=C/c1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C28H28N2/c1-28(2,25-13-5-4-6-14-25)26-18-16-22(17-19-26)20-29-30(3)21-24-12-9-11-23-10-7-8-15-27(23)24/h4-20H,21H2,1-3H3/b29-20+
InChIKeyCFFKSFYOMFPXEL-ZTKZIYFRSA-N
MW392.55 g/mol
LogP6.63
Rot. Bonds6

About N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine

N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine (PubChem CID 6478470) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine
PubChem CID6478470
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC NameN-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine
SMILESCN(Cc1cccc2ccccc12)/N=C/c1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C28H28N2/c1-28(2,25-13-5-4-6-14-25)26-18-16-22(17-19-26)20-29-30(3)21-24-12-9-11-23-10-7-8-15-27(23)24/h4-20H,21H2,1-3H3/b29-20+
InChIKeyCFFKSFYOMFPXEL-ZTKZIYFRSA-N
XLogP6.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine?
The IUPAC name of N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine (CID 6478470) is N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine.
What is the SMILES notation for N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine?
The canonical SMILES for N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine is CN(Cc1cccc2ccccc12)/N=C/c1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine?
The InChIKey is CFFKSFYOMFPXEL-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H28N2/c1-28(2,25-13-5-4-6-14-25)26-18-16-22(17-19-26)20-29-30(3)21-24-12-9-11-23-10-7-8-15-27(23)24/h4-20H,21H2,1-3H3/b29-20+.
What are the key properties of N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine?
N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine has a molecular weight of 392.55 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine is sourced from PubChem (CID 6478470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).