1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one

C15H27NO — CID 170063585

IUPAC1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CCC2(CC1)CN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C15H27NO/c1-5-12-6-8-15(9-7-12)10-16(11-15)13(17)14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyZZDNSBRVXOADLS-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.46
Rot. Bonds1

About 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one

1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 170063585) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
PubChem CID170063585
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CCC2(CC1)CN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C15H27NO/c1-5-12-6-8-15(9-7-12)10-16(11-15)13(17)14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyZZDNSBRVXOADLS-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-azaspiro[3.3]heptan-2-yl)-2,2-dimethylpropan-1-one
CID 130842982
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 176737009
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
N-cyclopropyl-1-(2,2-dimethylpropanoyl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
CID 52573306
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 168727113
3-(4-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821371
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-1-one
CID 170540653
1-[3-ethyl-3-(2H-imidazol-2-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 170193832
8-ethylspiro[4.5]decan-3-ol
CID 155331554

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one (CID 170063585) is 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one is CCC1CCC2(CC1)CN(C(=O)C(C)(C)C)C2.
What is the InChIKey of 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is ZZDNSBRVXOADLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-12-6-8-15(9-7-12)10-16(11-15)13(17)14(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one?
1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 170063585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).