1-(4-aminocyclohexyl)ethanone;hydrochloride

C8H16ClNO — CID 66728623

IUPAC1-(4-aminocyclohexyl)ethanone;hydrochloride
SMILESCC(=O)C1CCC(N)CC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h7-8H,2-5,9H2,1H3;1H
InChIKeyBIMXYHFQLAWZMO-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.51
Rot. Bonds1

About 1-(4-aminocyclohexyl)ethanone;hydrochloride

1-(4-aminocyclohexyl)ethanone;hydrochloride (PubChem CID 66728623) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)ethanone;hydrochloride
PubChem CID66728623
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-(4-aminocyclohexyl)ethanone;hydrochloride
SMILESCC(=O)C1CCC(N)CC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h7-8H,2-5,9H2,1H3;1H
InChIKeyBIMXYHFQLAWZMO-UHFFFAOYSA-N
XLogP1.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.51
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
4-aminocyclohexane-1-carboxamide;dihydrochloride
CID 89303150
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
4-aminocyclohexane-1-carbonyl iodide
CID 147089625
1-(4-bromocyclohexyl)ethanone
CID 118688836
cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride
CID 10051603
4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
CID 91668524
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride
CID 160649410

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)ethanone;hydrochloride?
The IUPAC name of 1-(4-aminocyclohexyl)ethanone;hydrochloride (CID 66728623) is 1-(4-aminocyclohexyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminocyclohexyl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminocyclohexyl)ethanone;hydrochloride is CC(=O)C1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminocyclohexyl)ethanone;hydrochloride?
The InChIKey is BIMXYHFQLAWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h7-8H,2-5,9H2,1H3;1H.
What are the key properties of 1-(4-aminocyclohexyl)ethanone;hydrochloride?
1-(4-aminocyclohexyl)ethanone;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)ethanone;hydrochloride is sourced from PubChem (CID 66728623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).