(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine

C7H15NO2 — CID 141449393

IUPAC(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine
SMILES[2H]COC[C@@H]1CC[C@@H](N)CO1
InChIInChI=1S/C7H15NO2/c1-9-5-7-3-2-6(8)4-10-7/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1/i1D
InChIKeyJAJFLERONKHAJQ-IXJUOEFQSA-N
MW146.21 g/mol
LogP0.14
Rot. Bonds3

About (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine

(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine (PubChem CID 141449393) has the molecular formula C7H15NO2 and a molecular weight of 146.21 g/mol. Its IUPAC name is (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine
PubChem CID141449393
Molecular FormulaC7H15NO2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine
SMILES[2H]COC[C@@H]1CC[C@@H](N)CO1
InChIInChI=1S/C7H15NO2/c1-9-5-7-3-2-6(8)4-10-7/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1/i1D
InChIKeyJAJFLERONKHAJQ-IXJUOEFQSA-N
XLogP0.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 132585345
(3R,6S)-6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 89051604
(3R,6S)-6-(methylsulfonylmethoxymethyl)oxan-3-amine
CID 164580671
(3S)-6-(aminomethyl)oxan-3-amine
CID 89349437
(3S,5S)-5-(methoxymethyl)oxolan-3-amine
CID 131220331
[(2S,5R)-5-aminooxan-2-yl]methyl 2,2,2-trifluoroacetate
CID 175375522
2-[(2S,5R)-5-aminooxan-2-yl]ethanol
CID 89051551
(3S)-6-(2-methyliminoethyl)oxan-3-amine
CID 174328015
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
(3R,6S)-6-[2-(3-methylcyclobutyl)oxyethyl]oxan-3-amine
CID 158173740
2-(methoxymethyl)-5-propan-2-yloxane
CID 174288739
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride
CID 134283511

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine?
The IUPAC name of (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine (CID 141449393) is (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine?
The canonical SMILES for (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine is [2H]COC[C@@H]1CC[C@@H](N)CO1.
What is the InChIKey of (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine?
The InChIKey is JAJFLERONKHAJQ-IXJUOEFQSA-N. The full InChI is InChI=1S/C7H15NO2/c1-9-5-7-3-2-6(8)4-10-7/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1/i1D.
What are the key properties of (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine?
(3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine has a molecular weight of 146.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(deuteriomethoxymethyl)oxan-3-amine is sourced from PubChem (CID 141449393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).