3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane

C16H27N — CID 166765213

IUPAC3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane
SMILESC1CCC2(CC1)CNC(C1CC3CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-2-4-16(5-3-1)10-15(17-11-16)14-8-12-6-13(7-12)9-14/h12-15,17H,1-11H2
InChIKeyVGXSTEZBSZTKSW-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.73
Rot. Bonds1

About 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane

3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane (PubChem CID 166765213) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane
PubChem CID166765213
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane
SMILESC1CCC2(CC1)CNC(C1CC3CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-2-4-16(5-3-1)10-15(17-11-16)14-8-12-6-13(7-12)9-14/h12-15,17H,1-11H2
InChIKeyVGXSTEZBSZTKSW-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane?
The IUPAC name of 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane (CID 166765213) is 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane is C1CCC2(CC1)CNC(C1CC3CC(C3)C1)C2.
What is the InChIKey of 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane?
The InChIKey is VGXSTEZBSZTKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-4-16(5-3-1)10-15(17-11-16)14-8-12-6-13(7-12)9-14/h12-15,17H,1-11H2.
What are the key properties of 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane?
3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane has a molecular weight of 233.40 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bicyclo[3.1.1]heptanyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 166765213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).