N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H21NO2 — CID 163639590

IUPACN-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC=CNC1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H21NO2/c1-2-17-15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h2-7,17H,1,8-13H2
InChIKeyIDBWXLJLQAZSNU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.93
Rot. Bonds3

About N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine

N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 163639590) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID163639590
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC=CNC1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H21NO2/c1-2-17-15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h2-7,17H,1,8-13H2
InChIKeyIDBWXLJLQAZSNU-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 163639590) is N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine is C=CNC1(c2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is IDBWXLJLQAZSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-17-15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h2-7,17H,1,8-13H2.
What are the key properties of N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 259.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 163639590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).