2-(1-aminocyclobutyl)-1-cycloheptylethanone

C13H23NO — CID 116591382

IUPAC2-(1-aminocyclobutyl)-1-cycloheptylethanone
SMILESNC1(CC(=O)C2CCCCCC2)CCC1
InChIInChI=1S/C13H23NO/c14-13(8-5-9-13)10-12(15)11-6-3-1-2-4-7-11/h11H,1-10,14H2
InChIKeyHDHRLHISEFYWDN-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.80
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-cycloheptylethanone

2-(1-aminocyclobutyl)-1-cycloheptylethanone (PubChem CID 116591382) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-cycloheptylethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-cycloheptylethanone
PubChem CID116591382
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(1-aminocyclobutyl)-1-cycloheptylethanone
SMILESNC1(CC(=O)C2CCCCCC2)CCC1
InChIInChI=1S/C13H23NO/c14-13(8-5-9-13)10-12(15)11-6-3-1-2-4-7-11/h11H,1-10,14H2
InChIKeyHDHRLHISEFYWDN-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-1-cyclopentylethanone
CID 116591112
2-(1-aminocyclohexyl)-1-cyclopropylethanone
CID 116579120
2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone
CID 116578763
2-(1-aminocyclopentyl)-1-(3-methylcyclohexyl)ethanone
CID 116578687
1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone
CID 103558733
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
CID 79854226
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
CID 116578936
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-cycloheptylethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-cycloheptylethanone (CID 116591382) is 2-(1-aminocyclobutyl)-1-cycloheptylethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-cycloheptylethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-cycloheptylethanone is NC1(CC(=O)C2CCCCCC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-cycloheptylethanone?
The InChIKey is HDHRLHISEFYWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-13(8-5-9-13)10-12(15)11-6-3-1-2-4-7-11/h11H,1-10,14H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-cycloheptylethanone?
2-(1-aminocyclobutyl)-1-cycloheptylethanone has a molecular weight of 209.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-cycloheptylethanone is sourced from PubChem (CID 116591382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).