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

C14H24N2O2 — CID 12681763

IUPAC8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCCCCN(C)C1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C14H24N2O2/c1-3-4-9-16(2)13(12-15)5-7-14(8-6-13)17-10-11-18-14/h3-11H2,1-2H3
InChIKeyIERDYJDAQVBCGV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.30
Rot. Bonds4

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

8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 12681763) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID12681763
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCCCCN(C)C1(C#N)CCC2(CC1)OCCO2
InChIInChI=1S/C14H24N2O2/c1-3-4-9-16(2)13(12-15)5-7-14(8-6-13)17-10-11-18-14/h3-11H2,1-2H3
InChIKeyIERDYJDAQVBCGV-UHFFFAOYSA-N
XLogP2.30
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 12681763) is 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile is CCCCN(C)C1(C#N)CCC2(CC1)OCCO2.
What is the InChIKey of 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is IERDYJDAQVBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-4-9-16(2)13(12-15)5-7-14(8-6-13)17-10-11-18-14/h3-11H2,1-2H3.
What are the key properties of 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 252.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[butyl(methyl)amino]-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 12681763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).