1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one

C13H23NO — CID 116578936

IUPAC1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
SMILESNC1(CC(=O)CC2CCC2)CCCCC1
InChIInChI=1S/C13H23NO/c14-13(7-2-1-3-8-13)10-12(15)9-11-5-4-6-11/h11H,1-10,14H2
InChIKeyATAZJLWHMSXPKN-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.80
Rot. Bonds4

About 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one

1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one (PubChem CID 116578936) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
PubChem CID116578936
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
SMILESNC1(CC(=O)CC2CCC2)CCCCC1
InChIInChI=1S/C13H23NO/c14-13(7-2-1-3-8-13)10-12(15)9-11-5-4-6-11/h11H,1-10,14H2
InChIKeyATAZJLWHMSXPKN-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-cyclobutyl-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575370
2-(1-aminocyclohexyl)-1-cyclopropylethanone
CID 116579120
2-(1-aminocyclobutyl)-1-cycloheptylethanone
CID 116591382
1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575528
2-(1-aminocyclohexyl)-N-(2-cyclohexylethyl)acetamide
CID 64683670
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
2-(1-aminocyclobutyl)-1-cyclopentylethanone
CID 116591112
2-(1-aminocyclohexyl)-N-cyclopentyloxyacetamide
CID 83236332
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
CID 116602062
1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
CID 116579013
2-(1-aminocyclohexyl)-N-(4-aminocyclohexyl)acetamide
CID 64676633
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one (CID 116578936) is 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one is NC1(CC(=O)CC2CCC2)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one?
The InChIKey is ATAZJLWHMSXPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-13(7-2-1-3-8-13)10-12(15)9-11-5-4-6-11/h11H,1-10,14H2.
What are the key properties of 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one?
1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one is sourced from PubChem (CID 116578936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).