6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one

C19H33NO — CID 79842196

IUPAC6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)CCCC(CN2CCC3(CCCCC3)CC2)C1=O
InChIInChI=1S/C19H33NO/c1-18(2)8-6-7-16(17(18)21)15-20-13-11-19(12-14-20)9-4-3-5-10-19/h16H,3-15H2,1-2H3
InChIKeyZDXKCXAKHWYDQY-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.43
Rot. Bonds2

About 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one

6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one (PubChem CID 79842196) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one
PubChem CID79842196
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)CCCC(CN2CCC3(CCCCC3)CC2)C1=O
InChIInChI=1S/C19H33NO/c1-18(2)8-6-7-16(17(18)21)15-20-13-11-19(12-14-20)9-4-3-5-10-19/h16H,3-15H2,1-2H3
InChIKeyZDXKCXAKHWYDQY-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one (CID 79842196) is 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one is CC1(C)CCCC(CN2CCC3(CCCCC3)CC2)C1=O.
What is the InChIKey of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one?
The InChIKey is ZDXKCXAKHWYDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-18(2)8-6-7-16(17(18)21)15-20-13-11-19(12-14-20)9-4-3-5-10-19/h16H,3-15H2,1-2H3.
What are the key properties of 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one?
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one has a molecular weight of 291.48 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79842196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).