3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one

C10H20N2O2 — CID 104958278

IUPAC3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H20N2O2/c1-7(4-11)10(13)12-5-8(2)14-9(3)6-12/h7-9H,4-6,11H2,1-3H3/t7?,8-,9+
InChIKeyQOTXOAPSZZXZCU-CBLAIPOGSA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds2

About 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one

3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one (PubChem CID 104958278) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
PubChem CID104958278
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H20N2O2/c1-7(4-11)10(13)12-5-8(2)14-9(3)6-12/h7-9H,4-6,11H2,1-3H3/t7?,8-,9+
InChIKeyQOTXOAPSZZXZCU-CBLAIPOGSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 79184567
3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494
3-amino-1-(2,6-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 106110973
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693
(2S)-2-bromo-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 124552619
5-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpentan-1-one
CID 102932727
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743
(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
CID 134519515
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one (CID 104958278) is 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one is CC(CN)C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is QOTXOAPSZZXZCU-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(4-11)10(13)12-5-8(2)14-9(3)6-12/h7-9H,4-6,11H2,1-3H3/t7?,8-,9+.
What are the key properties of 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 104958278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).