2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine

C7H13NO — CID 84647966

IUPAC2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine
SMILESNCCC1C2COCC12
InChIInChI=1S/C7H13NO/c8-2-1-5-6-3-9-4-7(5)6/h5-7H,1-4,8H2
InChIKeyIZNMZFJOFKDCAX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.23
Rot. Bonds2

About 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine

2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine (PubChem CID 84647966) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine
PubChem CID84647966
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine
SMILESNCCC1C2COCC12
InChIInChI=1S/C7H13NO/c8-2-1-5-6-3-9-4-7(5)6/h5-7H,1-4,8H2
InChIKeyIZNMZFJOFKDCAX-UHFFFAOYSA-N
XLogP0.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine?
The IUPAC name of 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine (CID 84647966) is 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine.
What is the SMILES notation for 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine?
The canonical SMILES for 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine is NCCC1C2COCC12.
What is the InChIKey of 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine?
The InChIKey is IZNMZFJOFKDCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-2-1-5-6-3-9-4-7(5)6/h5-7H,1-4,8H2.
What are the key properties of 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine?
2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanamine is sourced from PubChem (CID 84647966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).