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

C16H23NO2 — CID 130201014

IUPACN-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H23NO2/c1-2-17-15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h3-7,17H,2,8-13H2,1H3
InChIKeyIHLCPSNHLBHNJN-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.81
Rot. Bonds3

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

N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 130201014) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID130201014
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H23NO2/c1-2-17-15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h3-7,17H,2,8-13H2,1H3
InChIKeyIHLCPSNHLBHNJN-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 130201014) is N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine is CCNC1(c2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is IHLCPSNHLBHNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-17-15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h3-7,17H,2,8-13H2,1H3.
What are the key properties of N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 261.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 130201014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).