2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one

C14H26N2O — CID 172785734

IUPAC2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)(C)CCN1CCC2(CCNCC2)C1=O
InChIInChI=1S/C14H26N2O/c1-13(2,3)6-10-16-11-7-14(12(16)17)4-8-15-9-5-14/h15H,4-11H2,1-3H3
InChIKeyOWDBNSMVXXPFQS-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one

2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 172785734) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID172785734
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)(C)CCN1CCC2(CCNCC2)C1=O
InChIInChI=1S/C14H26N2O/c1-13(2,3)6-10-16-11-7-14(12(16)17)4-8-15-9-5-14/h15H,4-11H2,1-3H3
InChIKeyOWDBNSMVXXPFQS-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one (CID 172785734) is 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)(C)CCN1CCC2(CCNCC2)C1=O.
What is the InChIKey of 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is OWDBNSMVXXPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2,3)6-10-16-11-7-14(12(16)17)4-8-15-9-5-14/h15H,4-11H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 172785734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).