1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine

C11H24N2O2 — CID 104959201

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H24N2O2/c1-9-6-13(7-10(2)15-9)8-11(12)4-5-14-3/h9-11H,4-8,12H2,1-3H3/t9-,10+,11?
InChIKeyDIJRIYVUJLVBSK-ZACCUICWSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds5

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine (PubChem CID 104959201) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine
PubChem CID104959201
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H24N2O2/c1-9-6-13(7-10(2)15-9)8-11(12)4-5-14-3/h9-11H,4-8,12H2,1-3H3/t9-,10+,11?
InChIKeyDIJRIYVUJLVBSK-ZACCUICWSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-amine
CID 104959190
2-amino-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 64797367
4-methoxy-1-(4-methylpiperidin-1-yl)butan-2-amine
CID 62477662
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
(2R,6S)-4-(2,2-dimethoxyethyl)-2,6-dimethylmorpholine
CID 104959389
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
CID 104959145
(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
CID 130522014
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
CID 62476795
1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine
CID 63621254
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-(4,4-diethylpiperidin-1-yl)-4-methoxybutan-2-amine
CID 55159302

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine (CID 104959201) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine is COCCC(N)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine?
The InChIKey is DIJRIYVUJLVBSK-ZACCUICWSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9-6-13(7-10(2)15-9)8-11(12)4-5-14-3/h9-11H,4-8,12H2,1-3H3/t9-,10+,11?.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine has a molecular weight of 216.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine is sourced from PubChem (CID 104959201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).