8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C15H28N2O — CID 134792968

IUPAC8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)CCN1CCC2(CC1)CC(C(C)C)=NO2
InChIInChI=1S/C15H28N2O/c1-12(2)5-8-17-9-6-15(7-10-17)11-14(13(3)4)16-18-15/h12-13H,5-11H2,1-4H3
InChIKeyWDEMCUBFPYASNF-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.30
Rot. Bonds4

About 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134792968) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134792968
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)CCN1CCC2(CC1)CC(C(C)C)=NO2
InChIInChI=1S/C15H28N2O/c1-12(2)5-8-17-9-6-15(7-10-17)11-14(13(3)4)16-18-15/h12-13H,5-11H2,1-4H3
InChIKeyWDEMCUBFPYASNF-UHFFFAOYSA-N
XLogP3.30
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134792968) is 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)CCN1CCC2(CC1)CC(C(C)C)=NO2.
What is the InChIKey of 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is WDEMCUBFPYASNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)5-8-17-9-6-15(7-10-17)11-14(13(3)4)16-18-15/h12-13H,5-11H2,1-4H3.
What are the key properties of 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 252.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134792968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).