cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine

C26H25N — CID 87493979

IUPACcyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine
SMILES[H]/N=C(/c1c(C2C=Cc3ccccc32)ccc2ccccc12)C1CCCCC1
InChIInChI=1S/C26H25N/c27-26(20-10-2-1-3-11-20)25-22-13-7-5-9-19(22)15-17-24(25)23-16-14-18-8-4-6-12-21(18)23/h4-9,12-17,20,23,27H,1-3,10-11H2/b27-26+
InChIKeyOSKGNJHKPHGNON-CYYJNZCTSA-N
MW351.49 g/mol
LogP6.95
Rot. Bonds3

About cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine

cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine (PubChem CID 87493979) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine.

Molecular Properties

Compound Namecyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine
PubChem CID87493979
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Namecyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine
SMILES[H]/N=C(/c1c(C2C=Cc3ccccc32)ccc2ccccc12)C1CCCCC1
InChIInChI=1S/C26H25N/c27-26(20-10-2-1-3-11-20)25-22-13-7-5-9-19(22)15-17-24(25)23-16-14-18-8-4-6-12-21(18)23/h4-9,12-17,20,23,27H,1-3,10-11H2/b27-26+
InChIKeyOSKGNJHKPHGNON-CYYJNZCTSA-N
XLogP6.95
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.95
H-Bond Donors ≤ 51
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 cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine?
The IUPAC name of cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine (CID 87493979) is cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine.
What is the SMILES notation for cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine?
The canonical SMILES for cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine is [H]/N=C(/c1c(C2C=Cc3ccccc32)ccc2ccccc12)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine?
The InChIKey is OSKGNJHKPHGNON-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H25N/c27-26(20-10-2-1-3-11-20)25-22-13-7-5-9-19(22)15-17-24(25)23-16-14-18-8-4-6-12-21(18)23/h4-9,12-17,20,23,27H,1-3,10-11H2/b27-26+.
What are the key properties of cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine?
cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine has a molecular weight of 351.49 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine is sourced from PubChem (CID 87493979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).