4-ethyloxan-4-amine

C7H15NO — CID 63220680

IUPAC4-ethyloxan-4-amine
SMILESCCC1(N)CCOCC1
InChIInChI=1S/C7H15NO/c1-2-7(8)3-5-9-6-4-7/h2-6,8H2,1H3
InChIKeyJBDVERLQKGIOOT-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.90
Rot. Bonds1

About 4-ethyloxan-4-amine

4-ethyloxan-4-amine (PubChem CID 63220680) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-ethyloxan-4-amine.

Molecular Properties

Compound Name4-ethyloxan-4-amine
PubChem CID63220680
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-ethyloxan-4-amine
SMILESCCC1(N)CCOCC1
InChIInChI=1S/C7H15NO/c1-2-7(8)3-5-9-6-4-7/h2-6,8H2,1H3
InChIKeyJBDVERLQKGIOOT-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyloxan-4-amine?
The IUPAC name of 4-ethyloxan-4-amine (CID 63220680) is 4-ethyloxan-4-amine.
What is the SMILES notation for 4-ethyloxan-4-amine?
The canonical SMILES for 4-ethyloxan-4-amine is CCC1(N)CCOCC1.
What is the InChIKey of 4-ethyloxan-4-amine?
The InChIKey is JBDVERLQKGIOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-7(8)3-5-9-6-4-7/h2-6,8H2,1H3.
What are the key properties of 4-ethyloxan-4-amine?
4-ethyloxan-4-amine has a molecular weight of 129.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxan-4-amine is sourced from PubChem (CID 63220680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).