[(3S,5S)-5-methoxyoxan-3-yl]methanamine

C7H15NO2 — CID 59234207

IUPAC[(3S,5S)-5-methoxyoxan-3-yl]methanamine
SMILESCO[C@@H]1COC[C@H](CN)C1
InChIInChI=1S/C7H15NO2/c1-9-7-2-6(3-8)4-10-5-7/h6-7H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyJLAYYXCBUQURRQ-BQBZGAKWSA-N
MW145.20 g/mol
LogP-0.00
Rot. Bonds2

About [(3S,5S)-5-methoxyoxan-3-yl]methanamine

[(3S,5S)-5-methoxyoxan-3-yl]methanamine (PubChem CID 59234207) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is [(3S,5S)-5-methoxyoxan-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,5S)-5-methoxyoxan-3-yl]methanamine
PubChem CID59234207
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name[(3S,5S)-5-methoxyoxan-3-yl]methanamine
SMILESCO[C@@H]1COC[C@H](CN)C1
InChIInChI=1S/C7H15NO2/c1-9-7-2-6(3-8)4-10-5-7/h6-7H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyJLAYYXCBUQURRQ-BQBZGAKWSA-N
XLogP-0.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-methoxyoxan-3-yl]methanamine?
The IUPAC name of [(3S,5S)-5-methoxyoxan-3-yl]methanamine (CID 59234207) is [(3S,5S)-5-methoxyoxan-3-yl]methanamine.
What is the SMILES notation for [(3S,5S)-5-methoxyoxan-3-yl]methanamine?
The canonical SMILES for [(3S,5S)-5-methoxyoxan-3-yl]methanamine is CO[C@@H]1COC[C@H](CN)C1.
What is the InChIKey of [(3S,5S)-5-methoxyoxan-3-yl]methanamine?
The InChIKey is JLAYYXCBUQURRQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO2/c1-9-7-2-6(3-8)4-10-5-7/h6-7H,2-5,8H2,1H3/t6-,7-/m0/s1.
What are the key properties of [(3S,5S)-5-methoxyoxan-3-yl]methanamine?
[(3S,5S)-5-methoxyoxan-3-yl]methanamine has a molecular weight of 145.20 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-methoxyoxan-3-yl]methanamine is sourced from PubChem (CID 59234207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).