3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one

C10H20N2O2 — CID 62973098

IUPAC3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
SMILESCNCCC(=O)N1CCCOC(C)C1
InChIInChI=1S/C10H20N2O2/c1-9-8-12(6-3-7-14-9)10(13)4-5-11-2/h9,11H,3-8H2,1-2H3
InChIKeyCGWZBBPBZKKGFR-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one

3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one (PubChem CID 62973098) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
PubChem CID62973098
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
SMILESCNCCC(=O)N1CCCOC(C)C1
InChIInChI=1S/C10H20N2O2/c1-9-8-12(6-3-7-14-9)10(13)4-5-11-2/h9,11H,3-8H2,1-2H3
InChIKeyCGWZBBPBZKKGFR-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62986786
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62968735
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64679754
2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64609795
4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
CID 79674939
3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 114218404
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperazin-1-ylethane-1,2-dione
CID 55141735
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94178807

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one (CID 62973098) is 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one is CNCCC(=O)N1CCCOC(C)C1.
What is the InChIKey of 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one?
The InChIKey is CGWZBBPBZKKGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9-8-12(6-3-7-14-9)10(13)4-5-11-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one?
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one is sourced from PubChem (CID 62973098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).