2-(oxan-3-yl)oxan-3-amine

C10H19NO2 — CID 79364685

IUPAC2-(oxan-3-yl)oxan-3-amine
SMILESNC1CCCOC1C1CCCOC1
InChIInChI=1S/C10H19NO2/c11-9-4-2-6-13-10(9)8-3-1-5-12-7-8/h8-10H,1-7,11H2
InChIKeyVFEKUSNPKOKUKK-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.92
Rot. Bonds1

About 2-(oxan-3-yl)oxan-3-amine

2-(oxan-3-yl)oxan-3-amine (PubChem CID 79364685) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(oxan-3-yl)oxan-3-amine.

Molecular Properties

Compound Name2-(oxan-3-yl)oxan-3-amine
PubChem CID79364685
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(oxan-3-yl)oxan-3-amine
SMILESNC1CCCOC1C1CCCOC1
InChIInChI=1S/C10H19NO2/c11-9-4-2-6-13-10(9)8-3-1-5-12-7-8/h8-10H,1-7,11H2
InChIKeyVFEKUSNPKOKUKK-UHFFFAOYSA-N
XLogP0.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)oxan-3-amine?
The IUPAC name of 2-(oxan-3-yl)oxan-3-amine (CID 79364685) is 2-(oxan-3-yl)oxan-3-amine.
What is the SMILES notation for 2-(oxan-3-yl)oxan-3-amine?
The canonical SMILES for 2-(oxan-3-yl)oxan-3-amine is NC1CCCOC1C1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)oxan-3-amine?
The InChIKey is VFEKUSNPKOKUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-9-4-2-6-13-10(9)8-3-1-5-12-7-8/h8-10H,1-7,11H2.
What are the key properties of 2-(oxan-3-yl)oxan-3-amine?
2-(oxan-3-yl)oxan-3-amine has a molecular weight of 185.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)oxan-3-amine is sourced from PubChem (CID 79364685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).