(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine

C7H15NO2 — CID 55284490

IUPAC(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine
SMILESCO[C@H]1CC[C@H](N)[C@H](C)O1
InChIInChI=1S/C7H15NO2/c1-5-6(8)3-4-7(9-2)10-5/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyJSQYIOUXEYJMMQ-LYFYHCNISA-N
MW145.20 g/mol
LogP0.49
Rot. Bonds1

About (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine

(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine (PubChem CID 55284490) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine.

Molecular Properties

Compound Name(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine
PubChem CID55284490
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine
SMILESCO[C@H]1CC[C@H](N)[C@H](C)O1
InChIInChI=1S/C7H15NO2/c1-5-6(8)3-4-7(9-2)10-5/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyJSQYIOUXEYJMMQ-LYFYHCNISA-N
XLogP0.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine?
The IUPAC name of (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine (CID 55284490) is (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine.
What is the SMILES notation for (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine?
The canonical SMILES for (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine is CO[C@H]1CC[C@H](N)[C@H](C)O1.
What is the InChIKey of (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine?
The InChIKey is JSQYIOUXEYJMMQ-LYFYHCNISA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-6(8)3-4-7(9-2)10-5/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1.
What are the key properties of (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine?
(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine has a molecular weight of 145.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-6-methoxy-2-methyloxan-3-amine is sourced from PubChem (CID 55284490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).