2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine

C9H17NO — CID 170754288

IUPAC2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine
SMILESCCC1(N)CCC2CCC1O2
InChIInChI=1S/C9H17NO/c1-2-9(10)6-5-7-3-4-8(9)11-7/h7-8H,2-6,10H2,1H3
InChIKeyXVSHJPXVNYWLJY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.44
Rot. Bonds1

About 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine

2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine (PubChem CID 170754288) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine.

Molecular Properties

Compound Name2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine
PubChem CID170754288
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine
SMILESCCC1(N)CCC2CCC1O2
InChIInChI=1S/C9H17NO/c1-2-9(10)6-5-7-3-4-8(9)11-7/h7-8H,2-6,10H2,1H3
InChIKeyXVSHJPXVNYWLJY-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine?
The IUPAC name of 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine (CID 170754288) is 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine.
What is the SMILES notation for 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine?
The canonical SMILES for 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine is CCC1(N)CCC2CCC1O2.
What is the InChIKey of 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine?
The InChIKey is XVSHJPXVNYWLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-9(10)6-5-7-3-4-8(9)11-7/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine?
2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine is sourced from PubChem (CID 170754288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).