(1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C11H22N2O — CID 171748285

IUPAC(1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCCO[C@@H]1C[C@@H]2CN(C(C)C)C[C@H]1N2
InChIInChI=1S/C11H22N2O/c1-4-14-11-5-9-6-13(8(2)3)7-10(11)12-9/h8-12H,4-7H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyYCGYKWZFZLVLMN-GMTAPVOTSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds3

About (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

(1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 171748285) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID171748285
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCCO[C@@H]1C[C@@H]2CN(C(C)C)C[C@H]1N2
InChIInChI=1S/C11H22N2O/c1-4-14-11-5-9-6-13(8(2)3)7-10(11)12-9/h8-12H,4-7H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyYCGYKWZFZLVLMN-GMTAPVOTSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 171748285) is (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CCO[C@@H]1C[C@@H]2CN(C(C)C)C[C@H]1N2.
What is the InChIKey of (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is YCGYKWZFZLVLMN-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-14-11-5-9-6-13(8(2)3)7-10(11)12-9/h8-12H,4-7H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
(1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 198.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 171748285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).