2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine

C8H17NOS — CID 79963119

IUPAC2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine
SMILESCC(C)C(N)C1CSCCO1
InChIInChI=1S/C8H17NOS/c1-6(2)8(9)7-5-11-4-3-10-7/h6-8H,3-5,9H2,1-2H3
InChIKeySGSNCRRVYJVSOI-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.10
Rot. Bonds2

About 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine

2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine (PubChem CID 79963119) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine
PubChem CID79963119
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine
SMILESCC(C)C(N)C1CSCCO1
InChIInChI=1S/C8H17NOS/c1-6(2)8(9)7-5-11-4-3-10-7/h6-8H,3-5,9H2,1-2H3
InChIKeySGSNCRRVYJVSOI-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine (CID 79963119) is 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine is CC(C)C(N)C1CSCCO1.
What is the InChIKey of 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine?
The InChIKey is SGSNCRRVYJVSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(2)8(9)7-5-11-4-3-10-7/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine?
2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine is sourced from PubChem (CID 79963119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).