N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine

C15H19NO2 — CID 11043015

IUPACN-benzyl-1,4-dioxaspiro[4.5]decan-8-imine
SMILESc1ccc(CN=C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H19NO2/c1-2-4-13(5-3-1)12-16-14-6-8-15(9-7-14)17-10-11-18-15/h1-5H,6-12H2
InChIKeyWVBZICIVUYSODM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.94
Rot. Bonds2

About N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine

N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine (PubChem CID 11043015) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine.

Molecular Properties

Compound NameN-benzyl-1,4-dioxaspiro[4.5]decan-8-imine
PubChem CID11043015
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-benzyl-1,4-dioxaspiro[4.5]decan-8-imine
SMILESc1ccc(CN=C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H19NO2/c1-2-4-13(5-3-1)12-16-14-6-8-15(9-7-14)17-10-11-18-15/h1-5H,6-12H2
InChIKeyWVBZICIVUYSODM-UHFFFAOYSA-N
XLogP2.94
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1,4-dioxaspiro[4.5]decan-8-imine?
The IUPAC name of N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine (CID 11043015) is N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine.
What is the SMILES notation for N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine?
The canonical SMILES for N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine is c1ccc(CN=C2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine?
The InChIKey is WVBZICIVUYSODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-4-13(5-3-1)12-16-14-6-8-15(9-7-14)17-10-11-18-15/h1-5H,6-12H2.
What are the key properties of N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine?
N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine has a molecular weight of 245.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,4-dioxaspiro[4.5]decan-8-imine is sourced from PubChem (CID 11043015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).