2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride

C8H16ClNO — CID 105437255

IUPAC2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride
SMILESCC1(CN)CCCCC1=O.Cl
InChIInChI=1S/C8H15NO.ClH/c1-8(6-9)5-3-2-4-7(8)10;/h2-6,9H2,1H3;1H
InChIKeyFEVLWOLTRMKZLU-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.52
Rot. Bonds1

About 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride

2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride (PubChem CID 105437255) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride
PubChem CID105437255
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride
SMILESCC1(CN)CCCCC1=O.Cl
InChIInChI=1S/C8H15NO.ClH/c1-8(6-9)5-3-2-4-7(8)10;/h2-6,9H2,1H3;1H
InChIKeyFEVLWOLTRMKZLU-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
CID 13308219
(2S)-2-butyl-2-methylcyclohexan-1-one
CID 10080777
2-but-2-ynyl-2-methylcyclohexan-1-one
CID 13308710
(2S)-2-decyl-2-methylcyclohexan-1-one
CID 102124069
2-methyl-3-(1-methyl-2-oxocyclohexyl)propanenitrile
CID 130029731
methyl 3-(1-methyl-2-oxocycloheptyl)propanoate
CID 14691914
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile
CID 124706696
(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride
CID 170901449
2-diethoxyphosphoryl-3-[(1S)-1-methyl-2-oxocyclohexyl]propanoate
CID 23422027
2-ethyl-2-methylcyclooctane-1,5-dione
CID 141347991

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride (CID 105437255) is 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride is CC1(CN)CCCCC1=O.Cl.
What is the InChIKey of 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride?
The InChIKey is FEVLWOLTRMKZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-8(6-9)5-3-2-4-7(8)10;/h2-6,9H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride?
2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride is sourced from PubChem (CID 105437255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).