(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride

C7H16ClNO2 — CID 178190292

IUPAC(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
SMILESCN[C@@H]1COCC[C@H]1OC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-8-6-5-10-4-3-7(6)9-2;/h6-8H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyVSVHQJBJDCSLOS-ZJLYAJKPSA-N
MW181.66 g/mol
LogP0.43
Rot. Bonds2

About (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride

(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride (PubChem CID 178190292) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
PubChem CID178190292
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
SMILESCN[C@@H]1COCC[C@H]1OC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-8-6-5-10-4-3-7(6)9-2;/h6-8H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyVSVHQJBJDCSLOS-ZJLYAJKPSA-N
XLogP0.43
TPSA30.49 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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride?
The IUPAC name of (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride (CID 178190292) is (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride.
What is the SMILES notation for (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride?
The canonical SMILES for (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride is CN[C@@H]1COCC[C@H]1OC.Cl.
What is the InChIKey of (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride?
The InChIKey is VSVHQJBJDCSLOS-ZJLYAJKPSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-8-6-5-10-4-3-7(6)9-2;/h6-8H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1.
What are the key properties of (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride?
(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride is sourced from PubChem (CID 178190292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).