8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

C10H16N2O2 — CID 28899027

IUPAC8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCNC1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C10H16N2O2/c1-12-9(8-11)2-4-10(5-3-9)13-6-7-14-10/h12H,2-7H2,1H3
InChIKeyFBEAJHFRIVVMHY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.79
Rot. Bonds1

About 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 28899027) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID28899027
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCNC1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C10H16N2O2/c1-12-9(8-11)2-4-10(5-3-9)13-6-7-14-10/h12H,2-7H2,1H3
InChIKeyFBEAJHFRIVVMHY-UHFFFAOYSA-N
XLogP0.79
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 28899027) is 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is CNC1(C#N)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is FBEAJHFRIVVMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-9(8-11)2-4-10(5-3-9)13-6-7-14-10/h12H,2-7H2,1H3.
What are the key properties of 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 28899027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).