1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one

C16H30N2O — CID 168727113

IUPAC1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCCN(C(C)(C)C)C2)C1
InChIInChI=1S/C16H30N2O/c1-14(2,3)13(19)17-10-16(11-17)8-7-9-18(12-16)15(4,5)6/h7-12H2,1-6H3
InChIKeyNUWXSZAPYPTFNR-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.76
Rot. Bonds

About 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one

1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 168727113) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
PubChem CID168727113
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCCN(C(C)(C)C)C2)C1
InChIInChI=1S/C16H30N2O/c1-14(2,3)13(19)17-10-16(11-17)8-7-9-18(12-16)15(4,5)6/h7-12H2,1-6H3
InChIKeyNUWXSZAPYPTFNR-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one (CID 168727113) is 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2(CCCN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NUWXSZAPYPTFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2,3)13(19)17-10-16(11-17)8-7-9-18(12-16)15(4,5)6/h7-12H2,1-6H3.
What are the key properties of 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 168727113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).