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

C16H26N2 — CID 55166038

IUPAC2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H26N2/c17-13-14-5-1-2-6-15(14)18-11-9-16(10-12-18)7-3-4-8-16/h14-15H,1-12H2
InChIKeyZOAMHAAJDPXTJO-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.72
Rot. Bonds1

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

2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile (PubChem CID 55166038) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
PubChem CID55166038
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H26N2/c17-13-14-5-1-2-6-15(14)18-11-9-16(10-12-18)7-3-4-8-16/h14-15H,1-12H2
InChIKeyZOAMHAAJDPXTJO-UHFFFAOYSA-N
XLogP3.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.72
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)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile (CID 55166038) is 2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile is N#CC1CCCCC1N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile?
The InChIKey is ZOAMHAAJDPXTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c17-13-14-5-1-2-6-15(14)18-11-9-16(10-12-18)7-3-4-8-16/h14-15H,1-12H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile?
2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile has a molecular weight of 246.40 g/mol, XLogP of 3.72, 1 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)cyclohexane-1-carbonitrile is sourced from PubChem (CID 55166038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).