2,9-ditert-butyl-2-azaspiro[5.5]undecane

C18H35N — CID 118634153

IUPAC2,9-ditert-butyl-2-azaspiro[5.5]undecane
SMILESCC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H35N/c1-16(2,3)15-8-11-18(12-9-15)10-7-13-19(14-18)17(4,5)6/h15H,7-14H2,1-6H3
InChIKeyDHBLEZDSTVCHAI-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.10
Rot. Bonds

About 2,9-ditert-butyl-2-azaspiro[5.5]undecane

2,9-ditert-butyl-2-azaspiro[5.5]undecane (PubChem CID 118634153) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 2,9-ditert-butyl-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2,9-ditert-butyl-2-azaspiro[5.5]undecane
PubChem CID118634153
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name2,9-ditert-butyl-2-azaspiro[5.5]undecane
SMILESCC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H35N/c1-16(2,3)15-8-11-18(12-9-15)10-7-13-19(14-18)17(4,5)6/h15H,7-14H2,1-6H3
InChIKeyDHBLEZDSTVCHAI-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,9-ditert-butyl-2-azaspiro[5.5]undecane?
The IUPAC name of 2,9-ditert-butyl-2-azaspiro[5.5]undecane (CID 118634153) is 2,9-ditert-butyl-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2,9-ditert-butyl-2-azaspiro[5.5]undecane?
The canonical SMILES for 2,9-ditert-butyl-2-azaspiro[5.5]undecane is CC(C)(C)C1CCC2(CCCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 2,9-ditert-butyl-2-azaspiro[5.5]undecane?
The InChIKey is DHBLEZDSTVCHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-16(2,3)15-8-11-18(12-9-15)10-7-13-19(14-18)17(4,5)6/h15H,7-14H2,1-6H3.
What are the key properties of 2,9-ditert-butyl-2-azaspiro[5.5]undecane?
2,9-ditert-butyl-2-azaspiro[5.5]undecane has a molecular weight of 265.48 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-ditert-butyl-2-azaspiro[5.5]undecane is sourced from PubChem (CID 118634153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).