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

C11H23NO — CID 170754287

IUPACethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine
SMILESCC.CCC1(N)CCC2CCC1O2
InChIInChI=1S/C9H17NO.C2H6/c1-2-9(10)6-5-7-3-4-8(9)11-7;1-2/h7-8H,2-6,10H2,1H3;1-2H3
InChIKeyUHDTUQVNYWLFPW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.46
Rot. Bonds1

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

ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine (PubChem CID 170754287) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine.

Molecular Properties

Compound Nameethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine
PubChem CID170754287
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine
SMILESCC.CCC1(N)CCC2CCC1O2
InChIInChI=1S/C9H17NO.C2H6/c1-2-9(10)6-5-7-3-4-8(9)11-7;1-2/h7-8H,2-6,10H2,1H3;1-2H3
InChIKeyUHDTUQVNYWLFPW-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine?
The IUPAC name of ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine (CID 170754287) is ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine.
What is the SMILES notation for ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine?
The canonical SMILES for ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine is CC.CCC1(N)CCC2CCC1O2.
What is the InChIKey of ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine?
The InChIKey is UHDTUQVNYWLFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-2-9(10)6-5-7-3-4-8(9)11-7;1-2/h7-8H,2-6,10H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine?
ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine is sourced from PubChem (CID 170754287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).