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

C8H16ClNO — CID 12717448

IUPAC4-(dimethylamino)cyclohexan-1-one;hydrochloride
SMILESCN(C)C1CCC(=O)CC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-9(2)7-3-5-8(10)6-4-7;/h7H,3-6H2,1-2H3;1H
InChIKeyVLBFVLHJVBXWIM-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.48
Rot. Bonds1

About 4-(dimethylamino)cyclohexan-1-one;hydrochloride

4-(dimethylamino)cyclohexan-1-one;hydrochloride (PubChem CID 12717448) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-(dimethylamino)cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)cyclohexan-1-one;hydrochloride
PubChem CID12717448
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-(dimethylamino)cyclohexan-1-one;hydrochloride
SMILESCN(C)C1CCC(=O)CC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-9(2)7-3-5-8(10)6-4-7;/h7H,3-6H2,1-2H3;1H
InChIKeyVLBFVLHJVBXWIM-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

Analyze 4-(dimethylamino)cyclohexan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)cyclohexan-1-one;hydrochloride?
The IUPAC name of 4-(dimethylamino)cyclohexan-1-one;hydrochloride (CID 12717448) is 4-(dimethylamino)cyclohexan-1-one;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)cyclohexan-1-one;hydrochloride?
The canonical SMILES for 4-(dimethylamino)cyclohexan-1-one;hydrochloride is CN(C)C1CCC(=O)CC1.Cl.
What is the InChIKey of 4-(dimethylamino)cyclohexan-1-one;hydrochloride?
The InChIKey is VLBFVLHJVBXWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-9(2)7-3-5-8(10)6-4-7;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 4-(dimethylamino)cyclohexan-1-one;hydrochloride?
4-(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 4-(dimethylamino)cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 12717448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).