N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline

C36H37N3 — CID 66799583

About N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline

N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline (PubChem CID 66799583) has the molecular formula C36H37N3 and a molecular weight of 511.71 g/mol. Its IUPAC name is N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline.

Molecular Properties

• Compound Name: N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline
• PubChem CID: 66799583
• Molecular Formula: C36H37N3
• Molecular Weight: 511.71 g/mol
• Exact Mass: 511.30
• IUPAC Name: N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline
• SMILES: Cc1ccccc1NCc1ccc2ccccc2c1-c1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1
• InChI: InChI=1S/C36H37N3/c1-24(2)30-16-11-17-31(25(3)4)36(30)38-23-29-14-10-19-34(39-29)35-28(21-20-27-13-7-8-15-32(27)35)22-37-33-18-9-6-12-26(33)5/h6-21,23-25,37H,22H2,1-5H3/b38-23+
• InChIKey: XNQHOUGIUVVBLA-FNTLCPBMSA-N
• XLogP: 9.82
• TPSA: 37.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.71
LogP ≤ 5	9.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline?

The IUPAC name of N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline (CID 66799583) is N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline.

What is the SMILES notation for N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline?

The canonical SMILES for N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline is Cc1ccccc1NCc1ccc2ccccc2c1-c1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.

What is the InChIKey of N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline?

The InChIKey is XNQHOUGIUVVBLA-FNTLCPBMSA-N. The full InChI is InChI=1S/C36H37N3/c1-24(2)30-16-11-17-31(25(3)4)36(30)38-23-29-14-10-19-34(39-29)35-28(21-20-27-13-7-8-15-32(27)35)22-37-33-18-9-6-12-26(33)5/h6-21,23-25,37H,22H2,1-5H3/b38-23+.

What are the key properties of N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline?

N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline has a molecular weight of 511.71 g/mol, XLogP of 9.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline is sourced from PubChem (CID 66799583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).