(3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one

C11H22N2O2 — CID 59979123

IUPAC(3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one
SMILESCN[C@@H](CCCN1CCOCC1)C(C)=O
InChIInChI=1S/C11H22N2O2/c1-10(14)11(12-2)4-3-5-13-6-8-15-9-7-13/h11-12H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyDYLIEDXAGFEVGP-NSHDSACASA-N
MW214.31 g/mol
LogP0.28
Rot. Bonds6

About (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one

(3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one (PubChem CID 59979123) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one.

Molecular Properties

Compound Name(3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one
PubChem CID59979123
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one
SMILESCN[C@@H](CCCN1CCOCC1)C(C)=O
InChIInChI=1S/C11H22N2O2/c1-10(14)11(12-2)4-3-5-13-6-8-15-9-7-13/h11-12H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyDYLIEDXAGFEVGP-NSHDSACASA-N
XLogP0.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-Morpholin-4-ylpropylamino)heptan-2-one
CID 14484883
4-morpholin-4-yl-1-[(2S)-pyrrolidin-2-yl]butan-1-one
CID 58441844
2-Amino-6-morpholin-4-ylhexan-3-one
CID 58441852
(2S)-2-amino-6-morpholin-4-ylhexan-3-one
CID 58441862
1-[2-(Aminomethyl)morpholin-4-yl]-1-piperidin-4-ylpropan-2-one
CID 67055648
2-Amino-5-morpholin-4-ylpentanamide
CID 67314992
1-Morpholin-4-yl-3-(propan-2-ylamino)hexane-1,2-dione
CID 68246041
3-Amino-1-morpholin-4-ylhexane-1,2-dione
CID 70286436
2-(Ethylamino)-1-morpholin-4-ylpentan-3-one
CID 71154647
2-Amino-1-morpholin-4-ylpentan-3-one
CID 83684374
3-(Methylamino)-1-morpholin-4-ylhexane-1,2-dione
CID 89563024
2-Morpholin-4-yl-1-piperidin-2-ylethanone
CID 115006936

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one?
The IUPAC name of (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one (CID 59979123) is (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one.
What is the SMILES notation for (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one?
The canonical SMILES for (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one is CN[C@@H](CCCN1CCOCC1)C(C)=O.
What is the InChIKey of (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one?
The InChIKey is DYLIEDXAGFEVGP-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(14)11(12-2)4-3-5-13-6-8-15-9-7-13/h11-12H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one?
(3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-6-morpholin-4-ylhexan-2-one is sourced from PubChem (CID 59979123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).