N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine

C19H26N2 — CID 10826786

IUPACN-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine
SMILESCC(C)(C)/N=C/N1CC=CCC12CCCc1ccccc12
InChIInChI=1S/C19H26N2/c1-18(2,3)20-15-21-14-7-6-12-19(21)13-8-10-16-9-4-5-11-17(16)19/h4-7,9,11,15H,8,10,12-14H2,1-3H3/b20-15+
InChIKeyLOUNHNILPJIRBK-HMMYKYKNSA-N
MW282.43 g/mol
LogP4.31
Rot. Bonds1

About N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine

N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine (PubChem CID 10826786) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine
PubChem CID10826786
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine
SMILESCC(C)(C)/N=C/N1CC=CCC12CCCc1ccccc12
InChIInChI=1S/C19H26N2/c1-18(2,3)20-15-21-14-7-6-12-19(21)13-8-10-16-9-4-5-11-17(16)19/h4-7,9,11,15H,8,10,12-14H2,1-3H3/b20-15+
InChIKeyLOUNHNILPJIRBK-HMMYKYKNSA-N
XLogP4.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine?
The IUPAC name of N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine (CID 10826786) is N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine.
What is the SMILES notation for N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine?
The canonical SMILES for N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine is CC(C)(C)/N=C/N1CC=CCC12CCCc1ccccc12.
What is the InChIKey of N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine?
The InChIKey is LOUNHNILPJIRBK-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H26N2/c1-18(2,3)20-15-21-14-7-6-12-19(21)13-8-10-16-9-4-5-11-17(16)19/h4-7,9,11,15H,8,10,12-14H2,1-3H3/b20-15+.
What are the key properties of N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine?
N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine has a molecular weight of 282.43 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-spiro[2,3-dihydro-1H-naphthalene-4,6'-2,5-dihydropyridine]-1'-ylmethanimine is sourced from PubChem (CID 10826786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).