N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine

C25H25N — CID 23015018

IUPACN-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine
SMILESCC1=Cc2ccccc2C1c1ccc2ccccc2c1/C=N/C(C)(C)C
InChIInChI=1S/C25H25N/c1-17-15-19-10-6-8-12-21(19)24(17)22-14-13-18-9-5-7-11-20(18)23(22)16-26-25(2,3)4/h5-16,24H,1-4H3/b26-16+
InChIKeyPJEUFWDYLMXQGQ-WGOQTCKBSA-N
MW339.48 g/mol
LogP6.61
Rot. Bonds2

About N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine

N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine (PubChem CID 23015018) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine
PubChem CID23015018
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC NameN-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine
SMILESCC1=Cc2ccccc2C1c1ccc2ccccc2c1/C=N/C(C)(C)C
InChIInChI=1S/C25H25N/c1-17-15-19-10-6-8-12-21(19)24(17)22-14-13-18-9-5-7-11-20(18)23(22)16-26-25(2,3)4/h5-16,24H,1-4H3/b26-16+
InChIKeyPJEUFWDYLMXQGQ-WGOQTCKBSA-N
XLogP6.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine?
The IUPAC name of N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine (CID 23015018) is N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine?
The canonical SMILES for N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine is CC1=Cc2ccccc2C1c1ccc2ccccc2c1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine?
The InChIKey is PJEUFWDYLMXQGQ-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H25N/c1-17-15-19-10-6-8-12-21(19)24(17)22-14-13-18-9-5-7-11-20(18)23(22)16-26-25(2,3)4/h5-16,24H,1-4H3/b26-16+.
What are the key properties of N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine?
N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine has a molecular weight of 339.48 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine is sourced from PubChem (CID 23015018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).