4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one

C15H27NO — CID 66452950

IUPAC4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
SMILESCC(=O)C(C)(C)CN1CCC2(CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-13(17)14(2,3)12-16-10-8-15(9-11-16)6-4-5-7-15/h4-12H2,1-3H3
InChIKeyXCNNYVJBVJYVKL-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds3

About 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one

4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one (PubChem CID 66452950) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
PubChem CID66452950
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
SMILESCC(=O)C(C)(C)CN1CCC2(CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-13(17)14(2,3)12-16-10-8-15(9-11-16)6-4-5-7-15/h4-12H2,1-3H3
InChIKeyXCNNYVJBVJYVKL-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363
methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate
CID 79620588
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)propanoic acid
CID 63159460
1-(8-azaspiro[4.5]decan-8-yl)propan-2-one
CID 63158473
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63159759
methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate
CID 55157662
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
3-(7-azaspiro[3.5]nonan-7-yl)-2,2-dimethylpropanal
CID 130643090
3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 63159802
3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropan-1-amine
CID 55156710
4-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453593

Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one (CID 66452950) is 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one is CC(=O)C(C)(C)CN1CCC2(CCCC2)CC1.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one?
The InChIKey is XCNNYVJBVJYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(17)14(2,3)12-16-10-8-15(9-11-16)6-4-5-7-15/h4-12H2,1-3H3.
What are the key properties of 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one?
4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 66452950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).