1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine

C9H19NO2S — CID 79962721

IUPAC1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)C1CSCCO1
InChIInChI=1S/C9H19NO2S/c1-7(2)12-5-8(10)9-6-13-4-3-11-9/h7-9H,3-6,10H2,1-2H3
InChIKeyBONQHTGIGGYQAN-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.87
Rot. Bonds4

About 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine

1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine (PubChem CID 79962721) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine
PubChem CID79962721
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)C1CSCCO1
InChIInChI=1S/C9H19NO2S/c1-7(2)12-5-8(10)9-6-13-4-3-11-9/h7-9H,3-6,10H2,1-2H3
InChIKeyBONQHTGIGGYQAN-UHFFFAOYSA-N
XLogP0.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine (CID 79962721) is 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine is CC(C)OCC(N)C1CSCCO1.
What is the InChIKey of 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine?
The InChIKey is BONQHTGIGGYQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)12-5-8(10)9-6-13-4-3-11-9/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine?
1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine has a molecular weight of 205.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxathian-2-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 79962721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).