N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine

C20H32N2O — CID 77093651

IUPACN,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine
SMILESCC(c1cccc(CN2CCC3(CCOCC3)CC2)c1)N(C)C
InChIInChI=1S/C20H32N2O/c1-17(21(2)3)19-6-4-5-18(15-19)16-22-11-7-20(8-12-22)9-13-23-14-10-20/h4-6,15,17H,7-14,16H2,1-3H3
InChIKeyILXHAXAEMNYMHU-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.70
Rot. Bonds4

About N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine

N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine (PubChem CID 77093651) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine
PubChem CID77093651
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine
SMILESCC(c1cccc(CN2CCC3(CCOCC3)CC2)c1)N(C)C
InChIInChI=1S/C20H32N2O/c1-17(21(2)3)19-6-4-5-18(15-19)16-22-11-7-20(8-12-22)9-13-23-14-10-20/h4-6,15,17H,7-14,16H2,1-3H3
InChIKeyILXHAXAEMNYMHU-UHFFFAOYSA-N
XLogP3.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine 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-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine (CID 77093651) is N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine is CC(c1cccc(CN2CCC3(CCOCC3)CC2)c1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine?
The InChIKey is ILXHAXAEMNYMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-17(21(2)3)19-6-4-5-18(15-19)16-22-11-7-20(8-12-22)9-13-23-14-10-20/h4-6,15,17H,7-14,16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine?
N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine has a molecular weight of 316.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(3-oxa-9-azaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 77093651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).