6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one

C11H22N2O2 — CID 106774401

IUPAC6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
SMILESC[C@@H]1COCCN1C(=O)CCCCCN
InChIInChI=1S/C11H22N2O2/c1-10-9-15-8-7-13(10)11(14)5-3-2-4-6-12/h10H,2-9,12H2,1H3/t10-/m1/s1
InChIKeyKFSKLJDBUSNWBO-SNVBAGLBSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one

6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one (PubChem CID 106774401) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
PubChem CID106774401
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one
SMILESC[C@@H]1COCCN1C(=O)CCCCCN
InChIInChI=1S/C11H22N2O2/c1-10-9-15-8-7-13(10)11(14)5-3-2-4-6-12/h10H,2-9,12H2,1H3/t10-/m1/s1
InChIKeyKFSKLJDBUSNWBO-SNVBAGLBSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
4-(methylamino)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 60842403
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone
CID 80588742
ethyl 4-[(3R)-3-methylmorpholin-4-yl]-2,4-dioxobutanoate
CID 163276648
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione
CID 110309824
1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 94111474
N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
CID 43542531

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one (CID 106774401) is 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one is C[C@@H]1COCCN1C(=O)CCCCCN.
What is the InChIKey of 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one?
The InChIKey is KFSKLJDBUSNWBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10-9-15-8-7-13(10)11(14)5-3-2-4-6-12/h10H,2-9,12H2,1H3/t10-/m1/s1.
What are the key properties of 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one?
6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(3R)-3-methylmorpholin-4-yl]hexan-1-one is sourced from PubChem (CID 106774401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).