2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile

C18H30N2 — CID 63160347

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C18H30N2/c1-2-15-5-6-16(14-19)17(13-15)20-11-9-18(10-12-20)7-3-4-8-18/h15-17H,2-13H2,1H3
InChIKeyFFEKXUWLJMZOIL-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.36
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile

2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile (PubChem CID 63160347) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
PubChem CID63160347
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C18H30N2/c1-2-15-5-6-16(14-19)17(13-15)20-11-9-18(10-12-20)7-3-4-8-18/h15-17H,2-13H2,1H3
InChIKeyFFEKXUWLJMZOIL-UHFFFAOYSA-N
XLogP4.36
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile (CID 63160347) is 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCC3(CCCC3)CC2)C1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is FFEKXUWLJMZOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-15-5-6-16(14-19)17(13-15)20-11-9-18(10-12-20)7-3-4-8-18/h15-17H,2-13H2,1H3.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile?
2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile has a molecular weight of 274.45 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 63160347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).