1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one

C16H30N2O — CID 176737009

IUPAC1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H30N2O/c1-14(2,3)13(19)17-11-16(12-17)7-9-18(10-8-16)15(4,5)6/h7-12H2,1-6H3
InChIKeyGSGNVJUQJKEZRP-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.76
Rot. Bonds

About 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one

1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 176737009) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
PubChem CID176737009
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H30N2O/c1-14(2,3)13(19)17-11-16(12-17)7-9-18(10-8-16)15(4,5)6/h7-12H2,1-6H3
InChIKeyGSGNVJUQJKEZRP-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

Analyze 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 168727113
1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
CID 130842982
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-1-one
CID 170540653
1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 170063585
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 126750142
1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-propan-2-yloxyethanone
CID 170083691
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one
CID 168726993
1-tert-butylpiperidine-4,4-dicarboxylic acid
CID 117007985
1-(3-acetyl-3-hydroxyazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89212314
2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 138746899

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one (CID 176737009) is 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GSGNVJUQJKEZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2,3)13(19)17-11-16(12-17)7-9-18(10-8-16)15(4,5)6/h7-12H2,1-6H3.
What are the key properties of 1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
1-(7-tert-butyl-2,7-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-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176737009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).