3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one

C26H48N4O4 — CID 158775151

IUPAC3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
SMILESCC(C)N1C2CNC(=O)CC1COC2.CC(C)N1C2COCC1C2.CC(C)N1CC2CC(C1)O2
InChIInChI=1S/C10H18N2O2.2C8H15NO/c1-7(2)12-8-3-10(13)11-4-9(12)6-14-5-8;1-6(2)9-7-3-8(9)5-10-4-7;1-6(2)9-4-7-3-8(5-9)10-7/h7-9H,3-6H2,1-2H3,(H,11,13);2*6-8H,3-5H2,1-2H3
InChIKeyIQJOGXAWCKQDJV-UHFFFAOYSA-N
MW480.69 g/mol
LogP1.72
Rot. Bonds3

About 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one

3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one (PubChem CID 158775151) has the molecular formula C26H48N4O4 and a molecular weight of 480.69 g/mol. Its IUPAC name is 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one.

Molecular Properties

Compound Name3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
PubChem CID158775151
Molecular FormulaC26H48N4O4
Molecular Weight480.69 g/mol
Exact Mass480.37
IUPAC Name3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
SMILESCC(C)N1C2CNC(=O)CC1COC2.CC(C)N1C2COCC1C2.CC(C)N1CC2CC(C1)O2
InChIInChI=1S/C10H18N2O2.2C8H15NO/c1-7(2)12-8-3-10(13)11-4-9(12)6-14-5-8;1-6(2)9-7-3-8(9)5-10-4-7;1-6(2)9-4-7-3-8(5-9)10-7/h7-9H,3-6H2,1-2H3,(H,11,13);2*6-8H,3-5H2,1-2H3
InChIKeyIQJOGXAWCKQDJV-UHFFFAOYSA-N
XLogP1.72
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.69
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one?
The IUPAC name of 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one (CID 158775151) is 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one.
What is the SMILES notation for 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one?
The canonical SMILES for 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one is CC(C)N1C2CNC(=O)CC1COC2.CC(C)N1C2COCC1C2.CC(C)N1CC2CC(C1)O2.
What is the InChIKey of 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one?
The InChIKey is IQJOGXAWCKQDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.2C8H15NO/c1-7(2)12-8-3-10(13)11-4-9(12)6-14-5-8;1-6(2)9-7-3-8(9)5-10-4-7;1-6(2)9-4-7-3-8(5-9)10-7/h7-9H,3-6H2,1-2H3,(H,11,13);2*6-8H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one?
3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one has a molecular weight of 480.69 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one is sourced from PubChem (CID 158775151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).