3-(dimethylamino)cyclohexan-1-one;hydrochloride

C8H16ClNO — CID 86812375

IUPAC3-(dimethylamino)cyclohexan-1-one;hydrochloride
SMILESCN(C)C1CCCC(=O)C1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-9(2)7-4-3-5-8(10)6-7;/h7H,3-6H2,1-2H3;1H
InChIKeyCMARVAKHAVBXOT-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.48
Rot. Bonds1

About 3-(dimethylamino)cyclohexan-1-one;hydrochloride

3-(dimethylamino)cyclohexan-1-one;hydrochloride (PubChem CID 86812375) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 3-(dimethylamino)cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)cyclohexan-1-one;hydrochloride
PubChem CID86812375
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name3-(dimethylamino)cyclohexan-1-one;hydrochloride
SMILESCN(C)C1CCCC(=O)C1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-9(2)7-4-3-5-8(10)6-7;/h7H,3-6H2,1-2H3;1H
InChIKeyCMARVAKHAVBXOT-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)cyclohexan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)cyclohexan-1-one;hydrochloride (CID 86812375) is 3-(dimethylamino)cyclohexan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)cyclohexan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)cyclohexan-1-one;hydrochloride is CN(C)C1CCCC(=O)C1.Cl.
What is the InChIKey of 3-(dimethylamino)cyclohexan-1-one;hydrochloride?
The InChIKey is CMARVAKHAVBXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-9(2)7-4-3-5-8(10)6-7;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)cyclohexan-1-one;hydrochloride?
3-(dimethylamino)cyclohexan-1-one;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 86812375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).