3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile

C16H28N2O2 — CID 102848115

IUPAC3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H28N2O2/c1-19-13-12-18(11-5-10-17)14-15-6-9-16(20-15)7-3-2-4-8-16/h15H,2-9,11-14H2,1H3
InChIKeySDZTUEHRYXQTEM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.73
Rot. Bonds7

About 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile

3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile (PubChem CID 102848115) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
PubChem CID102848115
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H28N2O2/c1-19-13-12-18(11-5-10-17)14-15-6-9-16(20-15)7-3-2-4-8-16/h15H,2-9,11-14H2,1H3
InChIKeySDZTUEHRYXQTEM-UHFFFAOYSA-N
XLogP2.73
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848055
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol
CID 102848059
1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile
CID 102848070
3-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 102848073
2-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848075
2-[2-Methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848082
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848083
2-[2-Hydroxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848090
2-[Butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848091
4-(1-Oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carbonitrile
CID 102848098
1-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropan-2-ol
CID 102848102
2-Methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol
CID 102848103

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile (CID 102848115) is 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile is COCCN(CCC#N)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The InChIKey is SDZTUEHRYXQTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-19-13-12-18(11-5-10-17)14-15-6-9-16(20-15)7-3-2-4-8-16/h15H,2-9,11-14H2,1H3.
What are the key properties of 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile has a molecular weight of 280.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 102848115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).