(2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine

C9H19NO2 — CID 134401507

IUPAC(2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine
SMILESCO[C@]1(C)C[C@H](C)O[C@@H](C)[C@H]1N
InChIInChI=1S/C9H19NO2/c1-6-5-9(3,11-4)8(10)7(2)12-6/h6-8H,5,10H2,1-4H3/t6-,7-,8+,9+/m0/s1
InChIKeyJPHDTXJAGZRGDY-RBXMUDONSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds1

About (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine

(2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine (PubChem CID 134401507) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine.

Molecular Properties

Compound Name(2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine
PubChem CID134401507
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine
SMILESCO[C@]1(C)C[C@H](C)O[C@@H](C)[C@H]1N
InChIInChI=1S/C9H19NO2/c1-6-5-9(3,11-4)8(10)7(2)12-6/h6-8H,5,10H2,1-4H3/t6-,7-,8+,9+/m0/s1
InChIKeyJPHDTXJAGZRGDY-RBXMUDONSA-N
XLogP0.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine?
The IUPAC name of (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine (CID 134401507) is (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine.
What is the SMILES notation for (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine?
The canonical SMILES for (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine is CO[C@]1(C)C[C@H](C)O[C@@H](C)[C@H]1N.
What is the InChIKey of (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine?
The InChIKey is JPHDTXJAGZRGDY-RBXMUDONSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-5-9(3,11-4)8(10)7(2)12-6/h6-8H,5,10H2,1-4H3/t6-,7-,8+,9+/m0/s1.
What are the key properties of (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine?
(2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine has a molecular weight of 173.26 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 (2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine is sourced from PubChem (CID 134401507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).