8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane

C9H18N2O — CID 149282469

IUPAC8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2COC(C1)N2C
InChIInChI=1S/C9H18N2O/c1-7(2)11-4-8-6-12-9(5-11)10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyXTFLNAMFYSPYTR-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.37
Rot. Bonds1

About 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane

8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane (PubChem CID 149282469) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane
PubChem CID149282469
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2COC(C1)N2C
InChIInChI=1S/C9H18N2O/c1-7(2)11-4-8-6-12-9(5-11)10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyXTFLNAMFYSPYTR-UHFFFAOYSA-N
XLogP0.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane (CID 149282469) is 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2COC(C1)N2C.
What is the InChIKey of 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is XTFLNAMFYSPYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-4-8-6-12-9(5-11)10(8)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 170.26 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propan-2-yl-6-oxa-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 149282469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).