6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one

C11H23N3O2 — CID 20590184

IUPAC6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one
SMILESCCCN(C)CN1CCOCC(NC)C1=O
InChIInChI=1S/C11H23N3O2/c1-4-5-13(3)9-14-6-7-16-8-10(12-2)11(14)15/h10,12H,4-9H2,1-3H3
InChIKeyWGCJRMUCLHYFQA-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.27
Rot. Bonds5

About 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one

6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one (PubChem CID 20590184) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one
PubChem CID20590184
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one
SMILESCCCN(C)CN1CCOCC(NC)C1=O
InChIInChI=1S/C11H23N3O2/c1-4-5-13(3)9-14-6-7-16-8-10(12-2)11(14)15/h10,12H,4-9H2,1-3H3
InChIKeyWGCJRMUCLHYFQA-UHFFFAOYSA-N
XLogP-0.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Methylamino)-4-propyl-1,4-oxazepan-5-one
CID 20590196
6-(Methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one
CID 22984942
4-[2-(Dimethylamino)ethyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 22984981
4-(2-Hydroxypropyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984984
4-(2-Methoxyethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22984987
6-(Methylamino)-4-(2-oxopropyl)-1,4-oxazepan-5-one
CID 22985007
4-Cyclobutyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985012
4-Cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985034
4-Cyclopropyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985040
4-(Cyclopropylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985043
4-Ethyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985046
6-(Methylamino)-4-(2-methylpropyl)-1,4-oxazepan-5-one
CID 22985049

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one?
The IUPAC name of 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one (CID 20590184) is 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one.
What is the SMILES notation for 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one?
The canonical SMILES for 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one is CCCN(C)CN1CCOCC(NC)C1=O.
What is the InChIKey of 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one?
The InChIKey is WGCJRMUCLHYFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-5-13(3)9-14-6-7-16-8-10(12-2)11(14)15/h10,12H,4-9H2,1-3H3.
What are the key properties of 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one?
6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one has a molecular weight of 229.32 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-4-[[methyl(propyl)amino]methyl]-1,4-oxazepan-5-one is sourced from PubChem (CID 20590184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).