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

C13H22N2O2 — CID 43802681

IUPAC8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCCN(CC)C1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C13H22N2O2/c1-3-15(4-2)12(11-14)5-7-13(8-6-12)16-9-10-17-13/h3-10H2,1-2H3
InChIKeySSTZIFVVLCIPPQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.91
Rot. Bonds3

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

8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 43802681) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID43802681
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCCN(CC)C1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C13H22N2O2/c1-3-15(4-2)12(11-14)5-7-13(8-6-12)16-9-10-17-13/h3-10H2,1-2H3
InChIKeySSTZIFVVLCIPPQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-Pyrrolidinyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 360976
8-(Dimethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 360977
8-[Methyl(prop-2-enyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 12681762
8-[Butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 12681763
8-(Methylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 28899027
8-(Propylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 28901074
9-[Butyl(methyl)amino]-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane-9-carbonitrile
CID 57278307
8-butyl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 57475097
8-Azetidin-1-yl-1,4-dioxaspiro[4,5]decane-8-carbonitrile
CID 57475115
Dimethylamino-(1,4-dioxaspiro[4.5]dec-8-yl)-acetonitrile
CID 57839521
8-butyl-N-ethyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 68694520
8-[Ethyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 68697399

Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 43802681) is 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is CCN(CC)C1(C#N)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is SSTZIFVVLCIPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-15(4-2)12(11-14)5-7-13(8-6-12)16-9-10-17-13/h3-10H2,1-2H3.
What are the key properties of 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 238.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 43802681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).