2-(1-aminocyclohexyl)-1-cyclopropylethanone

C11H19NO — CID 116579120

IUPAC2-(1-aminocyclohexyl)-1-cyclopropylethanone
SMILESNC1(CC(=O)C2CC2)CCCCC1
InChIInChI=1S/C11H19NO/c12-11(6-2-1-3-7-11)8-10(13)9-4-5-9/h9H,1-8,12H2
InChIKeyJCYSUOQFIDMVFU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.02
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-cyclopropylethanone

2-(1-aminocyclohexyl)-1-cyclopropylethanone (PubChem CID 116579120) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-cyclopropylethanone
PubChem CID116579120
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(1-aminocyclohexyl)-1-cyclopropylethanone
SMILESNC1(CC(=O)C2CC2)CCCCC1
InChIInChI=1S/C11H19NO/c12-11(6-2-1-3-7-11)8-10(13)9-4-5-9/h9H,1-8,12H2
InChIKeyJCYSUOQFIDMVFU-UHFFFAOYSA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-aminocyclopentyl)-1-(3-methylcyclohexyl)ethanone
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1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
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CID 114081869
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
2-(1-aminocyclohexyl)-N-cyclopentyloxyacetamide
CID 83236332
(1-aminocycloheptyl)-cyclopropylmethanone
CID 82408131
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
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CID 104689647

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-cyclopropylethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-cyclopropylethanone (CID 116579120) is 2-(1-aminocyclohexyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-cyclopropylethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-cyclopropylethanone is NC1(CC(=O)C2CC2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-cyclopropylethanone?
The InChIKey is JCYSUOQFIDMVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-11(6-2-1-3-7-11)8-10(13)9-4-5-9/h9H,1-8,12H2.
What are the key properties of 2-(1-aminocyclohexyl)-1-cyclopropylethanone?
2-(1-aminocyclohexyl)-1-cyclopropylethanone has a molecular weight of 181.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-cyclopropylethanone is sourced from PubChem (CID 116579120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).