3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile

C13H22N2O2 — CID 79903094

IUPAC3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H22N2O2/c1-11(8-14)9-15(2)12-3-5-17-13(7-12)4-6-16-10-13/h11-12H,3-7,9-10H2,1-2H3
InChIKeyFLYWBFUERIFFFI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.42
Rot. Bonds3

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

3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile (PubChem CID 79903094) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
PubChem CID79903094
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H22N2O2/c1-11(8-14)9-15(2)12-3-5-17-13(7-12)4-6-16-10-13/h11-12H,3-7,9-10H2,1-2H3
InChIKeyFLYWBFUERIFFFI-UHFFFAOYSA-N
XLogP1.42
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79899720
N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894065
2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
CID 79894733
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile
CID 79903333
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79901722
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 79902214
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile
CID 79903177
3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine
CID 79897986
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile (CID 79903094) is 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile is CC(C#N)CN(C)C1CCOC2(CCOC2)C1.
What is the InChIKey of 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile?
The InChIKey is FLYWBFUERIFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(8-14)9-15(2)12-3-5-17-13(7-12)4-6-16-10-13/h11-12H,3-7,9-10H2,1-2H3.
What are the key properties of 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile?
3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile has a molecular weight of 238.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 79903094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).