2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone

C12H22N2O — CID 79851408

IUPAC2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
SMILESNC1(CC(=O)N2CCCCCC2)CCC1
InChIInChI=1S/C12H22N2O/c13-12(6-5-7-12)10-11(15)14-8-3-1-2-4-9-14/h1-10,13H2
InChIKeyZSCYNRGYYJPDON-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone

2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone (PubChem CID 79851408) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
PubChem CID79851408
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
SMILESNC1(CC(=O)N2CCCCCC2)CCC1
InChIInChI=1S/C12H22N2O/c13-12(6-5-7-12)10-11(15)14-8-3-1-2-4-9-14/h1-10,13H2
InChIKeyZSCYNRGYYJPDON-UHFFFAOYSA-N
XLogP1.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-(1-aminocyclobutyl)-1-morpholin-4-ylethanone
CID 79851869
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
2-(1-aminocyclobutyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112701652
2-(1-aminocyclopentyl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 114083427
2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 64677411
1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid
CID 79308679
2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride
CID 75494695
2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217667
4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 79844053

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone (CID 79851408) is 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone is NC1(CC(=O)N2CCCCCC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone?
The InChIKey is ZSCYNRGYYJPDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-12(6-5-7-12)10-11(15)14-8-3-1-2-4-9-14/h1-10,13H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone?
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 79851408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).