2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine

C10H21NO2 — CID 83907096

IUPAC2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine
SMILESCOC1(CCN)C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21NO2/c1-8-6-10(12-3,4-5-11)7-9(2)13-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10?
InChIKeyURQRSZJJVDAFTD-ULKQDVFKSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds3

About 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine

2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine (PubChem CID 83907096) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine
PubChem CID83907096
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine
SMILESCOC1(CCN)C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21NO2/c1-8-6-10(12-3,4-5-11)7-9(2)13-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10?
InChIKeyURQRSZJJVDAFTD-ULKQDVFKSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine?
The IUPAC name of 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine (CID 83907096) is 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine?
The canonical SMILES for 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine is COC1(CCN)C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine?
The InChIKey is URQRSZJJVDAFTD-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8-6-10(12-3,4-5-11)7-9(2)13-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10?.
What are the key properties of 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine?
2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine is sourced from PubChem (CID 83907096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).