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

C16H23NO2 — CID 12595611

IUPACN,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H23NO2/c1-17(2)15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h3-7H,8-13H2,1-2H3
InChIKeyAJXKMSUIFIQZDT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds2

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

N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 12595611) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID12595611
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H23NO2/c1-17(2)15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h3-7H,8-13H2,1-2H3
InChIKeyAJXKMSUIFIQZDT-UHFFFAOYSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 12595611) is N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1(c2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is AJXKMSUIFIQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17(2)15(14-6-4-3-5-7-14)8-10-16(11-9-15)18-12-13-19-16/h3-7H,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine?
N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 261.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 12595611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).