8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane

C15H29NO2 — CID 170385950

IUPAC8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane
SMILESCO[C@H](COC(C)(C)C)CN1C2CCCC1CC2
InChIInChI=1S/C15H29NO2/c1-15(2,3)18-11-14(17-4)10-16-12-6-5-7-13(16)9-8-12/h12-14H,5-11H2,1-4H3/t12?,13?,14-/m0/s1
InChIKeyVDRNCAZRXJFXGF-RUXDESIVSA-N
MW255.40 g/mol
LogP2.83
Rot. Bonds5

About 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane

8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane (PubChem CID 170385950) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane
PubChem CID170385950
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane
SMILESCO[C@H](COC(C)(C)C)CN1C2CCCC1CC2
InChIInChI=1S/C15H29NO2/c1-15(2,3)18-11-14(17-4)10-16-12-6-5-7-13(16)9-8-12/h12-14H,5-11H2,1-4H3/t12?,13?,14-/m0/s1
InChIKeyVDRNCAZRXJFXGF-RUXDESIVSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane (CID 170385950) is 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane is CO[C@H](COC(C)(C)C)CN1C2CCCC1CC2.
What is the InChIKey of 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is VDRNCAZRXJFXGF-RUXDESIVSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(2,3)18-11-14(17-4)10-16-12-6-5-7-13(16)9-8-12/h12-14H,5-11H2,1-4H3/t12?,13?,14-/m0/s1.
What are the key properties of 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane?
8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 255.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-methoxy-3-[(2-methylpropan-2-yl)oxy]propyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170385950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).