2-ethyl-1-azabicyclo[7.3.1]tridecane

C14H27N — CID 130354528

IUPAC2-ethyl-1-azabicyclo[7.3.1]tridecane
SMILESCCC1CCCCCCC2CCCN1C2
InChIInChI=1S/C14H27N/c1-2-14-10-6-4-3-5-8-13-9-7-11-15(14)12-13/h13-14H,2-12H2,1H3
InChIKeySGHYZPYOVPMUIQ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.83
Rot. Bonds1

About 2-ethyl-1-azabicyclo[7.3.1]tridecane

2-ethyl-1-azabicyclo[7.3.1]tridecane (PubChem CID 130354528) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-ethyl-1-azabicyclo[7.3.1]tridecane.

Molecular Properties

Compound Name2-ethyl-1-azabicyclo[7.3.1]tridecane
PubChem CID130354528
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-ethyl-1-azabicyclo[7.3.1]tridecane
SMILESCCC1CCCCCCC2CCCN1C2
InChIInChI=1S/C14H27N/c1-2-14-10-6-4-3-5-8-13-9-7-11-15(14)12-13/h13-14H,2-12H2,1H3
InChIKeySGHYZPYOVPMUIQ-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-azabicyclo[7.3.1]tridecane?
The IUPAC name of 2-ethyl-1-azabicyclo[7.3.1]tridecane (CID 130354528) is 2-ethyl-1-azabicyclo[7.3.1]tridecane.
What is the SMILES notation for 2-ethyl-1-azabicyclo[7.3.1]tridecane?
The canonical SMILES for 2-ethyl-1-azabicyclo[7.3.1]tridecane is CCC1CCCCCCC2CCCN1C2.
What is the InChIKey of 2-ethyl-1-azabicyclo[7.3.1]tridecane?
The InChIKey is SGHYZPYOVPMUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-2-14-10-6-4-3-5-8-13-9-7-11-15(14)12-13/h13-14H,2-12H2,1H3.
What are the key properties of 2-ethyl-1-azabicyclo[7.3.1]tridecane?
2-ethyl-1-azabicyclo[7.3.1]tridecane has a molecular weight of 209.38 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-azabicyclo[7.3.1]tridecane is sourced from PubChem (CID 130354528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).