1-(4-amino-1-methylazepan-4-yl)propan-2-one

C10H20N2O — CID 115016769

IUPAC1-(4-amino-1-methylazepan-4-yl)propan-2-one
SMILESCC(=O)CC1(N)CCCN(C)CC1
InChIInChI=1S/C10H20N2O/c1-9(13)8-10(11)4-3-6-12(2)7-5-10/h3-8,11H2,1-2H3
InChIKeyWGETWVGHLLYYCV-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.78
Rot. Bonds2

About 1-(4-amino-1-methylazepan-4-yl)propan-2-one

1-(4-amino-1-methylazepan-4-yl)propan-2-one (PubChem CID 115016769) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-amino-1-methylazepan-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-amino-1-methylazepan-4-yl)propan-2-one
PubChem CID115016769
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(4-amino-1-methylazepan-4-yl)propan-2-one
SMILESCC(=O)CC1(N)CCCN(C)CC1
InChIInChI=1S/C10H20N2O/c1-9(13)8-10(11)4-3-6-12(2)7-5-10/h3-8,11H2,1-2H3
InChIKeyWGETWVGHLLYYCV-UHFFFAOYSA-N
XLogP0.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-1-methylazepan-4-yl)acetamide
CID 83846985
1-methyl-4-(2-oxopropyl)azepane-4-carboxylic acid
CID 115028358
1-(3-amino-1-methylazetidin-3-yl)propan-2-one
CID 115011480
2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
2-(3-amino-1-methylpiperidin-3-yl)acetate
CID 86649846
methyl 2-(3-amino-1-methylazepan-3-yl)acetate
CID 83908328
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
CID 115047871
1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone
CID 178047336
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
1-(1-amino-3,3-difluorocyclobutyl)propan-2-one
CID 175327835
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylazepan-4-yl)propan-2-one?
The IUPAC name of 1-(4-amino-1-methylazepan-4-yl)propan-2-one (CID 115016769) is 1-(4-amino-1-methylazepan-4-yl)propan-2-one.
What is the SMILES notation for 1-(4-amino-1-methylazepan-4-yl)propan-2-one?
The canonical SMILES for 1-(4-amino-1-methylazepan-4-yl)propan-2-one is CC(=O)CC1(N)CCCN(C)CC1.
What is the InChIKey of 1-(4-amino-1-methylazepan-4-yl)propan-2-one?
The InChIKey is WGETWVGHLLYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(13)8-10(11)4-3-6-12(2)7-5-10/h3-8,11H2,1-2H3.
What are the key properties of 1-(4-amino-1-methylazepan-4-yl)propan-2-one?
1-(4-amino-1-methylazepan-4-yl)propan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylazepan-4-yl)propan-2-one is sourced from PubChem (CID 115016769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).