N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine

C23H36N2O — CID 118661944

IUPACN,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(CCC3CCCO3)C2)CC1
InChIInChI=1S/C23H36N2O/c1-24(2)23(20-7-4-3-5-8-20)13-11-22(12-14-23)15-17-25(19-22)16-10-21-9-6-18-26-21/h3-5,7-8,21H,6,9-19H2,1-2H3
InChIKeyYQIYMSVCFXFPIC-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.28
Rot. Bonds5

About N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine

N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118661944) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine
PubChem CID118661944
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC NameN,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccccc2)CCC2(CCN(CCC3CCCO3)C2)CC1
InChIInChI=1S/C23H36N2O/c1-24(2)23(20-7-4-3-5-8-20)13-11-22(12-14-23)15-17-25(19-22)16-10-21-9-6-18-26-21/h3-5,7-8,21H,6,9-19H2,1-2H3
InChIKeyYQIYMSVCFXFPIC-UHFFFAOYSA-N
XLogP4.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine (CID 118661944) is N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine is CN(C)C1(c2ccccc2)CCC2(CCN(CCC3CCCO3)C2)CC1.
What is the InChIKey of N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is YQIYMSVCFXFPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c1-24(2)23(20-7-4-3-5-8-20)13-11-22(12-14-23)15-17-25(19-22)16-10-21-9-6-18-26-21/h3-5,7-8,21H,6,9-19H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine?
N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 356.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(oxolan-2-yl)ethyl]-8-phenyl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118661944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).