[(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride

C7H16ClNO2 — CID 136589525

IUPAC[(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride
SMILESCO[C@@H]1CCO[C@H](CN)C1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-6-2-3-10-7(4-6)5-8;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyQJGLFSOUQNPVPZ-HHQFNNIRSA-N
MW181.66 g/mol
LogP0.56
Rot. Bonds2

About [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride

[(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride (PubChem CID 136589525) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride
PubChem CID136589525
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name[(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride
SMILESCO[C@@H]1CCO[C@H](CN)C1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-6-2-3-10-7(4-6)5-8;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyQJGLFSOUQNPVPZ-HHQFNNIRSA-N
XLogP0.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride (CID 136589525) is [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride is CO[C@@H]1CCO[C@H](CN)C1.Cl.
What is the InChIKey of [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride?
The InChIKey is QJGLFSOUQNPVPZ-HHQFNNIRSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-9-6-2-3-10-7(4-6)5-8;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1.
What are the key properties of [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride?
[(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methoxyoxan-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 136589525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).