1-[(1S,3S)-3-aminocyclohexyl]ethanone

C8H15NO — CID 98010319

IUPAC1-[(1S,3S)-3-aminocyclohexyl]ethanone
SMILESCC(=O)[C@H]1CCC[C@H](N)C1
InChIInChI=1S/C8H15NO/c1-6(10)7-3-2-4-8(9)5-7/h7-8H,2-5,9H2,1H3/t7-,8-/m0/s1
InChIKeyQHOGDAIMTBASPN-YUMQZZPRSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds1

About 1-[(1S,3S)-3-aminocyclohexyl]ethanone

1-[(1S,3S)-3-aminocyclohexyl]ethanone (PubChem CID 98010319) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(1S,3S)-3-aminocyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1S,3S)-3-aminocyclohexyl]ethanone
PubChem CID98010319
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(1S,3S)-3-aminocyclohexyl]ethanone
SMILESCC(=O)[C@H]1CCC[C@H](N)C1
InChIInChI=1S/C8H15NO/c1-6(10)7-3-2-4-8(9)5-7/h7-8H,2-5,9H2,1H3/t7-,8-/m0/s1
InChIKeyQHOGDAIMTBASPN-YUMQZZPRSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,3S)-3-aminocyclopentyl]ethanone
CID 59688992
1-[(1R,3R)-3-aminocyclopentyl]ethanone
CID 59689000
(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
1-(3-aminocyclohexyl)-3-methylbut-2-en-1-one
CID 67326135
1-[(1S,3R)-3-aminocyclohexyl]-3-methylbut-2-en-1-one
CID 59174733
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
1-(3-aminocyclohexyl)-3-methylbut-3-en-1-one
CID 116568965
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
1-(3-iodocyclohexyl)ethanone
CID 12564078
3-acetylcyclohexane-1-carbonyl iodide
CID 146549703
3-aminocyclododecane-1-carboxylic acid
CID 71162813
1-[(1R,3S)-3-aminocyclohexyl]prop-2-en-1-one
CID 178190936

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-aminocyclohexyl]ethanone?
The IUPAC name of 1-[(1S,3S)-3-aminocyclohexyl]ethanone (CID 98010319) is 1-[(1S,3S)-3-aminocyclohexyl]ethanone.
What is the SMILES notation for 1-[(1S,3S)-3-aminocyclohexyl]ethanone?
The canonical SMILES for 1-[(1S,3S)-3-aminocyclohexyl]ethanone is CC(=O)[C@H]1CCC[C@H](N)C1.
What is the InChIKey of 1-[(1S,3S)-3-aminocyclohexyl]ethanone?
The InChIKey is QHOGDAIMTBASPN-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(10)7-3-2-4-8(9)5-7/h7-8H,2-5,9H2,1H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-aminocyclohexyl]ethanone?
1-[(1S,3S)-3-aminocyclohexyl]ethanone has a molecular weight of 141.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-aminocyclohexyl]ethanone is sourced from PubChem (CID 98010319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).