N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine

C22H27NO — CID 126599319

IUPACN-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine
SMILESCC1CC(C(C)N=C(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C22H27NO/c1-16-14-21(15-17(2)24-16)18(3)23-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,21H,14-15H2,1-3H3
InChIKeyAKVSIQWLBGNXDI-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.12
Rot. Bonds4

About N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine

N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine (PubChem CID 126599319) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine
PubChem CID126599319
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC NameN-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine
SMILESCC1CC(C(C)N=C(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C22H27NO/c1-16-14-21(15-17(2)24-16)18(3)23-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,21H,14-15H2,1-3H3
InChIKeyAKVSIQWLBGNXDI-UHFFFAOYSA-N
XLogP5.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine (CID 126599319) is N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine is CC1CC(C(C)N=C(c2ccccc2)c2ccccc2)CC(C)O1.
What is the InChIKey of N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine?
The InChIKey is AKVSIQWLBGNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-16-14-21(15-17(2)24-16)18(3)23-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,21H,14-15H2,1-3H3.
What are the key properties of N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine?
N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine has a molecular weight of 321.46 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 126599319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).