6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane

C12H23N — CID 59623319

IUPAC6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCCN1CC2(C)CC1CC(C)C2C
InChIInChI=1S/C12H23N/c1-5-13-8-12(4)7-11(13)6-9(2)10(12)3/h9-11H,5-8H2,1-4H3
InChIKeyPFXPWSUYLJVVSG-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds1

About 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane

6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 59623319) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane
PubChem CID59623319
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCCN1CC2(C)CC1CC(C)C2C
InChIInChI=1S/C12H23N/c1-5-13-8-12(4)7-11(13)6-9(2)10(12)3/h9-11H,5-8H2,1-4H3
InChIKeyPFXPWSUYLJVVSG-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane (CID 59623319) is 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane is CCN1CC2(C)CC1CC(C)C2C.
What is the InChIKey of 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is PFXPWSUYLJVVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-13-8-12(4)7-11(13)6-9(2)10(12)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane?
6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 59623319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).