4-ethyloxolan-3-amine

C6H13NO — CID 83478548

IUPAC4-ethyloxolan-3-amine
SMILESCCC1COCC1N
InChIInChI=1S/C6H13NO/c1-2-5-3-8-4-6(5)7/h5-6H,2-4,7H2,1H3
InChIKeyFYFCHPORKPFYBU-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds1

About 4-ethyloxolan-3-amine

4-ethyloxolan-3-amine (PubChem CID 83478548) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-ethyloxolan-3-amine
PubChem CID83478548
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-ethyloxolan-3-amine
SMILESCCC1COCC1N
InChIInChI=1S/C6H13NO/c1-2-5-3-8-4-6(5)7/h5-6H,2-4,7H2,1H3
InChIKeyFYFCHPORKPFYBU-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyloxolan-3-amine?
The IUPAC name of 4-ethyloxolan-3-amine (CID 83478548) is 4-ethyloxolan-3-amine.
What is the SMILES notation for 4-ethyloxolan-3-amine?
The canonical SMILES for 4-ethyloxolan-3-amine is CCC1COCC1N.
What is the InChIKey of 4-ethyloxolan-3-amine?
The InChIKey is FYFCHPORKPFYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-5-3-8-4-6(5)7/h5-6H,2-4,7H2,1H3.
What are the key properties of 4-ethyloxolan-3-amine?
4-ethyloxolan-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxolan-3-amine is sourced from PubChem (CID 83478548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).