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

C24H23N — CID 23015297

IUPACN-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine
SMILESCC(C)(C)/N=C/c1c(C2C=Cc3ccccc32)ccc2ccccc12
InChIInChI=1S/C24H23N/c1-24(2,3)25-16-23-20-11-7-5-9-18(20)13-15-22(23)21-14-12-17-8-4-6-10-19(17)21/h4-16,21H,1-3H3/b25-16+
InChIKeyYYBOZJGCJWGCHS-PCLIKHOPSA-N
MW325.46 g/mol
LogP6.22
Rot. Bonds2

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

N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine (PubChem CID 23015297) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine
PubChem CID23015297
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC NameN-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine
SMILESCC(C)(C)/N=C/c1c(C2C=Cc3ccccc32)ccc2ccccc12
InChIInChI=1S/C24H23N/c1-24(2,3)25-16-23-20-11-7-5-9-18(20)13-15-22(23)21-14-12-17-8-4-6-10-19(17)21/h4-16,21H,1-3H3/b25-16+
InChIKeyYYBOZJGCJWGCHS-PCLIKHOPSA-N
XLogP6.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.22
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-(1H-inden-1-yl)naphthalen-1-yl]methanimine?
The IUPAC name of N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine (CID 23015297) is N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine?
The canonical SMILES for N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine is CC(C)(C)/N=C/c1c(C2C=Cc3ccccc32)ccc2ccccc12.
What is the InChIKey of N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine?
The InChIKey is YYBOZJGCJWGCHS-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H23N/c1-24(2,3)25-16-23-20-11-7-5-9-18(20)13-15-22(23)21-14-12-17-8-4-6-10-19(17)21/h4-16,21H,1-3H3/b25-16+.
What are the key properties of N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine?
N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine has a molecular weight of 325.46 g/mol, XLogP of 6.22, 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-(1H-inden-1-yl)naphthalen-1-yl]methanimine is sourced from PubChem (CID 23015297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).