8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile

C12H20N2O2 — CID 68697399

IUPAC8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCCN(C)C1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C12H20N2O2/c1-3-14(2)11(10-13)4-6-12(7-5-11)15-8-9-16-12/h3-9H2,1-2H3
InChIKeyCFVOMEMWFNXHJV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.52
Rot. Bonds2

About 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 68697399) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID68697399
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCCN(C)C1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C12H20N2O2/c1-3-14(2)11(10-13)4-6-12(7-5-11)15-8-9-16-12/h3-9H2,1-2H3
InChIKeyCFVOMEMWFNXHJV-UHFFFAOYSA-N
XLogP1.52
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 68697399) is 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile is CCN(C)C1(C#N)CCC2(CC1)OCCO2.
What is the InChIKey of 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is CFVOMEMWFNXHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-14(2)11(10-13)4-6-12(7-5-11)15-8-9-16-12/h3-9H2,1-2H3.
What are the key properties of 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 224.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 68697399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).