N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C16H25N3O — CID 118741059

IUPACN,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C16H25N3O/c1-18(2)15-11-16(20-13-15)5-9-19(10-6-16)12-14-3-7-17-8-4-14/h3-4,7-8,15H,5-6,9-13H2,1-2H3
InChIKeyLBODDXRRGVTJTA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.77
Rot. Bonds3

About N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118741059) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118741059
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C16H25N3O/c1-18(2)15-11-16(20-13-15)5-9-19(10-6-16)12-14-3-7-17-8-4-14/h3-4,7-8,15H,5-6,9-13H2,1-2H3
InChIKeyLBODDXRRGVTJTA-UHFFFAOYSA-N
XLogP1.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-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-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118741059) is N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C)C1COC2(CCN(Cc3ccncc3)CC2)C1.
What is the InChIKey of N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is LBODDXRRGVTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)15-11-16(20-13-15)5-9-19(10-6-16)12-14-3-7-17-8-4-14/h3-4,7-8,15H,5-6,9-13H2,1-2H3.
What are the key properties of N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 275.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118741059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).