N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine

C18H19N — CID 58410610

IUPACN-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCc1ccc2c(c1)CCC/C2=N\Cc1ccccc1
InChIInChI=1S/C18H19N/c1-14-10-11-17-16(12-14)8-5-9-18(17)19-13-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3/b19-18+
InChIKeyGUIQFBGVAGVZOS-VHEBQXMUSA-N
MW249.36 g/mol
LogP4.32
Rot. Bonds2

About N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine

N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 58410610) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID58410610
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCc1ccc2c(c1)CCC/C2=N\Cc1ccccc1
InChIInChI=1S/C18H19N/c1-14-10-11-17-16(12-14)8-5-9-18(17)19-13-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3/b19-18+
InChIKeyGUIQFBGVAGVZOS-VHEBQXMUSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.32
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-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine (CID 58410610) is N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine is Cc1ccc2c(c1)CCC/C2=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is GUIQFBGVAGVZOS-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H19N/c1-14-10-11-17-16(12-14)8-5-9-18(17)19-13-15-6-3-2-4-7-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3/b19-18+.
What are the key properties of N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine?
N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 249.36 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 58410610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).