3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one

C15H27NO2 — CID 116608371

IUPAC3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
SMILESCC(C)(C)C(N)CC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H27NO2/c1-14(2,3)13(16)9-12(17)11-5-8-18-15(10-11)6-4-7-15/h11,13H,4-10,16H2,1-3H3
InChIKeyWOZCEBFSQCVMNG-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.67
Rot. Bonds3

About 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one

3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one (PubChem CID 116608371) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
PubChem CID116608371
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
SMILESCC(C)(C)C(N)CC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H27NO2/c1-14(2,3)13(16)9-12(17)11-5-8-18-15(10-11)6-4-7-15/h11,13H,4-10,16H2,1-3H3
InChIKeyWOZCEBFSQCVMNG-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 105115694
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
CID 116589412
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116599992
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
CID 116606560
2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921443

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one?
The IUPAC name of 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one (CID 116608371) is 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one.
What is the SMILES notation for 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one?
The canonical SMILES for 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one is CC(C)(C)C(N)CC(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one?
The InChIKey is WOZCEBFSQCVMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)13(16)9-12(17)11-5-8-18-15(10-11)6-4-7-15/h11,13H,4-10,16H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one?
3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one is sourced from PubChem (CID 116608371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).