3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane

C17H31N — CID 91043834

IUPAC3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CCN(C1CCC1)CC2
InChIInChI=1S/C17H31N/c1-14(2)15-6-8-17(9-7-15)10-12-18(13-11-17)16-4-3-5-16/h14-16H,3-13H2,1-2H3
InChIKeyQPRAOIYHCKJTKN-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.47
Rot. Bonds2

About 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane

3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane (PubChem CID 91043834) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane
PubChem CID91043834
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane
SMILESCC(C)C1CCC2(CC1)CCN(C1CCC1)CC2
InChIInChI=1S/C17H31N/c1-14(2)15-6-8-17(9-7-15)10-12-18(13-11-17)16-4-3-5-16/h14-16H,3-13H2,1-2H3
InChIKeyQPRAOIYHCKJTKN-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane?
The IUPAC name of 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane (CID 91043834) is 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane is CC(C)C1CCC2(CC1)CCN(C1CCC1)CC2.
What is the InChIKey of 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane?
The InChIKey is QPRAOIYHCKJTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-14(2)15-6-8-17(9-7-15)10-12-18(13-11-17)16-4-3-5-16/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane?
3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane has a molecular weight of 249.44 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-9-propan-2-yl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 91043834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).