1-(oxan-3-yl)ethanamine

C7H15NO — CID 65331750

IUPAC1-(oxan-3-yl)ethanamine
SMILESCC(N)C1CCCOC1
InChIInChI=1S/C7H15NO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5,8H2,1H3
InChIKeyVDAAJZJRNPGVNB-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds1

About 1-(oxan-3-yl)ethanamine

1-(oxan-3-yl)ethanamine (PubChem CID 65331750) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)ethanamine
PubChem CID65331750
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-(oxan-3-yl)ethanamine
SMILESCC(N)C1CCCOC1
InChIInChI=1S/C7H15NO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5,8H2,1H3
InChIKeyVDAAJZJRNPGVNB-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)ethanamine?
The IUPAC name of 1-(oxan-3-yl)ethanamine (CID 65331750) is 1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 1-(oxan-3-yl)ethanamine?
The canonical SMILES for 1-(oxan-3-yl)ethanamine is CC(N)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)ethanamine?
The InChIKey is VDAAJZJRNPGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(oxan-3-yl)ethanamine?
1-(oxan-3-yl)ethanamine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 65331750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).