4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one

C17H25NO — CID 117029676

IUPAC4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one
SMILESCc1cccc(C(C)C)c1N(C)C1CCC(=O)CC1
InChIInChI=1S/C17H25NO/c1-12(2)16-7-5-6-13(3)17(16)18(4)14-8-10-15(19)11-9-14/h5-7,12,14H,8-11H2,1-4H3
InChIKeyURQMBIFJPFKXTF-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.07
Rot. Bonds3

About 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one

4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one (PubChem CID 117029676) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one
PubChem CID117029676
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one
SMILESCc1cccc(C(C)C)c1N(C)C1CCC(=O)CC1
InChIInChI=1S/C17H25NO/c1-12(2)16-7-5-6-13(3)17(16)18(4)14-8-10-15(19)11-9-14/h5-7,12,14H,8-11H2,1-4H3
InChIKeyURQMBIFJPFKXTF-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(N,3,5-trimethylanilino)cyclohexan-1-one
CID 114762165
4-[methyl-(6-propan-2-ylpyridazin-3-yl)amino]cyclohexan-1-one
CID 116974114
2-[cyclobutyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107108606
2-[cyclopentyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107107840
4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one
CID 117029678
4-(2-ethoxy-N-methylanilino)cyclohexan-1-one
CID 117029692
N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
CID 79120565
4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one
CID 79120526
2-(aminomethyl)-N-cyclohexyl-N,6-dimethylaniline
CID 107105472
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
4-(N-methyl-4-nitroanilino)cyclohexan-1-one
CID 79120446

Frequently Asked Questions

What is the IUPAC name of 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one?
The IUPAC name of 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one (CID 117029676) is 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one.
What is the SMILES notation for 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one?
The canonical SMILES for 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one is Cc1cccc(C(C)C)c1N(C)C1CCC(=O)CC1.
What is the InChIKey of 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one?
The InChIKey is URQMBIFJPFKXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)16-7-5-6-13(3)17(16)18(4)14-8-10-15(19)11-9-14/h5-7,12,14H,8-11H2,1-4H3.
What are the key properties of 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one?
4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one has a molecular weight of 259.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,2-dimethyl-6-propan-2-ylanilino)cyclohexan-1-one is sourced from PubChem (CID 117029676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).