6-(methoxymethyl)oxan-3-amine;hydrochloride

C7H16ClNO2 — CID 132585345

IUPAC6-(methoxymethyl)oxan-3-amine;hydrochloride
SMILESCOCC1CCC(N)CO1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-5-7-3-2-6(8)4-10-7;/h6-7H,2-5,8H2,1H3;1H
InChIKeySRLJEHZJXBXWDY-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.56
Rot. Bonds2

About 6-(methoxymethyl)oxan-3-amine;hydrochloride

6-(methoxymethyl)oxan-3-amine;hydrochloride (PubChem CID 132585345) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 6-(methoxymethyl)oxan-3-amine;hydrochloride.

Molecular Properties

Compound Name6-(methoxymethyl)oxan-3-amine;hydrochloride
PubChem CID132585345
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name6-(methoxymethyl)oxan-3-amine;hydrochloride
SMILESCOCC1CCC(N)CO1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-5-7-3-2-6(8)4-10-7;/h6-7H,2-5,8H2,1H3;1H
InChIKeySRLJEHZJXBXWDY-UHFFFAOYSA-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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Related Compounds

(3R,6S)-6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 89051604
(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine
CID 141449393
(3S,5S)-5-(methoxymethyl)oxolan-3-amine
CID 131220331
(3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine
CID 164580671
(3S)-6-(aminomethyl)oxan-3-amine
CID 89349437
2-(methoxymethyl)-5-propan-2-yloxane
CID 174288739
[(2S,5R)-5-aminooxan-2-yl]methyl 2,2,2-trifluoroacetate
CID 175375522
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
2,5-bis(methoxymethyl)oxolane
CID 57041378
2-[(2S,5R)-5-aminooxan-2-yl]ethanol
CID 89051551
(3S)-6-(2-methyliminoethyl)oxan-3-amine
CID 174328015
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride
CID 134283511

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)oxan-3-amine;hydrochloride?
The IUPAC name of 6-(methoxymethyl)oxan-3-amine;hydrochloride (CID 132585345) is 6-(methoxymethyl)oxan-3-amine;hydrochloride.
What is the SMILES notation for 6-(methoxymethyl)oxan-3-amine;hydrochloride?
The canonical SMILES for 6-(methoxymethyl)oxan-3-amine;hydrochloride is COCC1CCC(N)CO1.Cl.
What is the InChIKey of 6-(methoxymethyl)oxan-3-amine;hydrochloride?
The InChIKey is SRLJEHZJXBXWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-9-5-7-3-2-6(8)4-10-7;/h6-7H,2-5,8H2,1H3;1H.
What are the key properties of 6-(methoxymethyl)oxan-3-amine;hydrochloride?
6-(methoxymethyl)oxan-3-amine;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 6-(methoxymethyl)oxan-3-amine;hydrochloride is sourced from PubChem (CID 132585345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).