2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one

C16H30N2O — CID 164762663

IUPAC2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)(C)N1CCC2(CC1)CC(=O)N(C(C)(C)C)C2
InChIInChI=1S/C16H30N2O/c1-14(2,3)17-9-7-16(8-10-17)11-13(19)18(12-16)15(4,5)6/h7-12H2,1-6H3
InChIKeyNVMXVHOIDYMARC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.90
Rot. Bonds

About 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one

2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 164762663) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID164762663
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)(C)N1CCC2(CC1)CC(=O)N(C(C)(C)C)C2
InChIInChI=1S/C16H30N2O/c1-14(2,3)17-9-7-16(8-10-17)11-13(19)18(12-16)15(4,5)6/h7-12H2,1-6H3
InChIKeyNVMXVHOIDYMARC-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one (CID 164762663) is 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one is CC(C)(C)N1CCC2(CC1)CC(=O)N(C(C)(C)C)C2.
What is the InChIKey of 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NVMXVHOIDYMARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2,3)17-9-7-16(8-10-17)11-13(19)18(12-16)15(4,5)6/h7-12H2,1-6H3.
What are the key properties of 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one?
2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 266.43 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 164762663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).