3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile

C14H24N2O3 — CID 79903333

IUPAC3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24N2O3/c1-17-10-7-16(6-2-5-15)13-3-8-19-14(11-13)4-9-18-12-14/h13H,2-4,6-12H2,1H3
InChIKeyUNIFYWGUONKAHG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.19
Rot. Bonds6

About 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile

3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile (PubChem CID 79903333) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile
PubChem CID79903333
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24N2O3/c1-17-10-7-16(6-2-5-15)13-3-8-19-14(11-13)4-9-18-12-14/h13H,2-4,6-12H2,1H3
InChIKeyUNIFYWGUONKAHG-UHFFFAOYSA-N
XLogP1.19
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)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

3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
CID 79903494
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
CID 113468045
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile
CID 103856902
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905733
3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
CID 79903094
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927776
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
CID 79903017
3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
CID 79903868
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
CID 79919754

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile (CID 79903333) is 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is UNIFYWGUONKAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-17-10-7-16(6-2-5-15)13-3-8-19-14(11-13)4-9-18-12-14/h13H,2-4,6-12H2,1H3.
What are the key properties of 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile?
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 268.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 79903333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).