3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane

C13H25NO — CID 59275781

IUPAC3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCCC1(OC)CC2CCC(C1)N2C(C)C
InChIInChI=1S/C13H25NO/c1-5-13(15-4)8-11-6-7-12(9-13)14(11)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeySMVLJDUYIGFYII-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.82
Rot. Bonds3

About 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane

3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 59275781) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID59275781
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCCC1(OC)CC2CCC(C1)N2C(C)C
InChIInChI=1S/C13H25NO/c1-5-13(15-4)8-11-6-7-12(9-13)14(11)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeySMVLJDUYIGFYII-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 59275781) is 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane is CCC1(OC)CC2CCC(C1)N2C(C)C.
What is the InChIKey of 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is SMVLJDUYIGFYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-13(15-4)8-11-6-7-12(9-13)14(11)10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 211.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 59275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).