8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one

C22H34N2O — CID 118662129

IUPAC8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
SMILESCCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1=O
InChIInChI=1S/C22H34N2O/c1-4-5-16-24-17-15-21(20(24)25)11-13-22(14-12-21,23(2)3)18-19-9-7-6-8-10-19/h6-10H,4-5,11-18H2,1-3H3
InChIKeyMPSGWGHFIVPXRX-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.12
Rot. Bonds6

About 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one

8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one (PubChem CID 118662129) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
PubChem CID118662129
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
SMILESCCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1=O
InChIInChI=1S/C22H34N2O/c1-4-5-16-24-17-15-21(20(24)25)11-13-22(14-12-21,23(2)3)18-19-9-7-6-8-10-19/h6-10H,4-5,11-18H2,1-3H3
InChIKeyMPSGWGHFIVPXRX-UHFFFAOYSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one (CID 118662129) is 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one is CCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1=O.
What is the InChIKey of 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
The InChIKey is MPSGWGHFIVPXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-4-5-16-24-17-15-21(20(24)25)11-13-22(14-12-21,23(2)3)18-19-9-7-6-8-10-19/h6-10H,4-5,11-18H2,1-3H3.
What are the key properties of 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one?
8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one has a molecular weight of 342.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 118662129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).