2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one

C10H20N2O — CID 82240969

IUPAC2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCNCCC1C
InChIInChI=1S/C10H20N2O/c1-8(2)10(13)12-7-6-11-5-4-9(12)3/h8-9,11H,4-7H2,1-3H3
InChIKeyJJCOKMUFJPUJGQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds1

About 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one

2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 82240969) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one
PubChem CID82240969
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCNCCC1C
InChIInChI=1S/C10H20N2O/c1-8(2)10(13)12-7-6-11-5-4-9(12)3/h8-9,11H,4-7H2,1-3H3
InChIKeyJJCOKMUFJPUJGQ-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1,4-diazepane-1-carboxylic acid
CID 91184881
2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 172777636
1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-one
CID 90295798
1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130572
2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241180
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
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 82241192
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472718
7-methyl-1-propan-2-yl-1,4-diazepane
CID 64871378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one (CID 82240969) is 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one is CC(C)C(=O)N1CCNCCC1C.
What is the InChIKey of 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is JJCOKMUFJPUJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)10(13)12-7-6-11-5-4-9(12)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one?
2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 82240969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).