N-benzyloxan-4-imine

C12H15NO — CID 57179176

IUPACN-benzyloxan-4-imine
SMILESc1ccc(CN=C2CCOCC2)cc1
InChIInChI=1S/C12H15NO/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h1-5H,6-10H2
InChIKeyOTCFMMVRLKEGGA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.44
Rot. Bonds2

About N-benzyloxan-4-imine

N-benzyloxan-4-imine (PubChem CID 57179176) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-benzyloxan-4-imine.

Molecular Properties

Compound NameN-benzyloxan-4-imine
PubChem CID57179176
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-benzyloxan-4-imine
SMILESc1ccc(CN=C2CCOCC2)cc1
InChIInChI=1S/C12H15NO/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h1-5H,6-10H2
InChIKeyOTCFMMVRLKEGGA-UHFFFAOYSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.44
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-benzyloxan-4-imine?
The IUPAC name of N-benzyloxan-4-imine (CID 57179176) is N-benzyloxan-4-imine.
What is the SMILES notation for N-benzyloxan-4-imine?
The canonical SMILES for N-benzyloxan-4-imine is c1ccc(CN=C2CCOCC2)cc1.
What is the InChIKey of N-benzyloxan-4-imine?
The InChIKey is OTCFMMVRLKEGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h1-5H,6-10H2.
What are the key properties of N-benzyloxan-4-imine?
N-benzyloxan-4-imine has a molecular weight of 189.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloxan-4-imine is sourced from PubChem (CID 57179176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).