2-anilino-4,4-dimethylcyclohexan-1-one

C14H19NO — CID 57175118

IUPAC2-anilino-4,4-dimethylcyclohexan-1-one
SMILESCC1(C)CCC(=O)C(Nc2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-14(2)9-8-13(16)12(10-14)15-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKeyCBACWIRBRHDWAV-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.25
Rot. Bonds2

About 2-anilino-4,4-dimethylcyclohexan-1-one

2-anilino-4,4-dimethylcyclohexan-1-one (PubChem CID 57175118) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-anilino-4,4-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-anilino-4,4-dimethylcyclohexan-1-one
PubChem CID57175118
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-anilino-4,4-dimethylcyclohexan-1-one
SMILESCC1(C)CCC(=O)C(Nc2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-14(2)9-8-13(16)12(10-14)15-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
InChIKeyCBACWIRBRHDWAV-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(S)-hydroxy(phenyl)methyl]-4,4-dimethylcyclohexan-1-one
CID 102156460
3-anilinooxan-4-one
CID 175322067
N-(2,2-dimethylcyclopropyl)aniline
CID 122457066
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
6,6-dimethyl-N-phenyl-2,4,5,7-tetrahydrobenzotriazol-3-ium-4-amine
CID 173046235
2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine
CID 518954
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
CID 124560423
4-anilino-5,5-dimethylcyclohex-2-en-1-one
CID 102226489
4-[(7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl)carbamoyl]oxane-4-carboxylic acid
CID 154781207
methyl 5-methyl-2-oxo-5-phenylcyclohexane-1-carboxylate
CID 15701403
1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide
CID 81320439

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4,4-dimethylcyclohexan-1-one?
The IUPAC name of 2-anilino-4,4-dimethylcyclohexan-1-one (CID 57175118) is 2-anilino-4,4-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-anilino-4,4-dimethylcyclohexan-1-one?
The canonical SMILES for 2-anilino-4,4-dimethylcyclohexan-1-one is CC1(C)CCC(=O)C(Nc2ccccc2)C1.
What is the InChIKey of 2-anilino-4,4-dimethylcyclohexan-1-one?
The InChIKey is CBACWIRBRHDWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)9-8-13(16)12(10-14)15-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3.
What are the key properties of 2-anilino-4,4-dimethylcyclohexan-1-one?
2-anilino-4,4-dimethylcyclohexan-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4,4-dimethylcyclohexan-1-one is sourced from PubChem (CID 57175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).