6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one

C11H22N2O2 — CID 107219338

IUPAC6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)N1CC(C)(O)C1
InChIInChI=1S/C11H22N2O2/c1-9(5-6-12)3-4-10(14)13-7-11(2,15)8-13/h9,15H,3-8,12H2,1-2H3
InChIKeyNKHMTCLOULYGOZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds5

About 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one

6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one (PubChem CID 107219338) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one
PubChem CID107219338
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)N1CC(C)(O)C1
InChIInChI=1S/C11H22N2O2/c1-9(5-6-12)3-4-10(14)13-7-11(2,15)8-13/h9,15H,3-8,12H2,1-2H3
InChIKeyNKHMTCLOULYGOZ-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
CID 107217188
6-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114408800
6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one
CID 79171040
4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one
CID 102743737
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885
6-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409199
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
CID 81199611
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one
CID 107219264
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one
CID 107219373
6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114459953
6-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 114489843

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one (CID 107219338) is 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one is CC(CCN)CCC(=O)N1CC(C)(O)C1.
What is the InChIKey of 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one?
The InChIKey is NKHMTCLOULYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(5-6-12)3-4-10(14)13-7-11(2,15)8-13/h9,15H,3-8,12H2,1-2H3.
What are the key properties of 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one?
6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one is sourced from PubChem (CID 107219338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).