N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine

C14H17NO — CID 91047556

IUPACN-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine
SMILESCC1=C/C(=N\Cc2ccccc2)CC(C)O1
InChIInChI=1S/C14H17NO/c1-11-8-14(9-12(2)16-11)15-10-13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3/b15-14+
InChIKeyJMYYLMPPDLNVFF-CCEZHUSRSA-N
MW215.30 g/mol
LogP3.34
Rot. Bonds2

About N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine

N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine (PubChem CID 91047556) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine.

Molecular Properties

Compound NameN-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine
PubChem CID91047556
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine
SMILESCC1=C/C(=N\Cc2ccccc2)CC(C)O1
InChIInChI=1S/C14H17NO/c1-11-8-14(9-12(2)16-11)15-10-13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3/b15-14+
InChIKeyJMYYLMPPDLNVFF-CCEZHUSRSA-N
XLogP3.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.34
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-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine?
The IUPAC name of N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine (CID 91047556) is N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine.
What is the SMILES notation for N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine?
The canonical SMILES for N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine is CC1=C/C(=N\Cc2ccccc2)CC(C)O1.
What is the InChIKey of N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine?
The InChIKey is JMYYLMPPDLNVFF-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-8-14(9-12(2)16-11)15-10-13-6-4-3-5-7-13/h3-8,12H,9-10H2,1-2H3/b15-14+.
What are the key properties of N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine?
N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine has a molecular weight of 215.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine is sourced from PubChem (CID 91047556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).