2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one

C10H20N2O2 — CID 130815989

IUPAC2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCCNCC1C
InChIInChI=1S/C10H20N2O2/c1-8-7-11-5-4-6-12(8)10(13)9(2)14-3/h8-9,11H,4-7H2,1-3H3
InChIKeyAOBURLVXZIRTNX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds2

About 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one

2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 130815989) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
PubChem CID130815989
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCCNCC1C
InChIInChI=1S/C10H20N2O2/c1-8-7-11-5-4-6-12(8)10(13)9(2)14-3/h8-9,11H,4-7H2,1-3H3
InChIKeyAOBURLVXZIRTNX-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
CID 130709295
1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one
CID 115737245
2-methylpropyl 2-methyl-1,4-diazepane-1-carboxylate
CID 82241778
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472718
2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 130847241
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one (CID 130815989) is 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one is COC(C)C(=O)N1CCCNCC1C.
What is the InChIKey of 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is AOBURLVXZIRTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-7-11-5-4-6-12(8)10(13)9(2)14-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one?
2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 130815989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).