2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid

C16H23NO2 — CID 79848111

IUPAC2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CCCCC1(C)C
InChIInChI=1S/C16H23NO2/c1-12-8-4-5-9-13(12)17-16(14(18)19)11-7-6-10-15(16,2)3/h4-5,8-9,17H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKeyKHAWTCAXYVGXGQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.83
Rot. Bonds3

About 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid

2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid (PubChem CID 79848111) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
PubChem CID79848111
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CCCCC1(C)C
InChIInChI=1S/C16H23NO2/c1-12-8-4-5-9-13(12)17-16(14(18)19)11-7-6-10-15(16,2)3/h4-5,8-9,17H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKeyKHAWTCAXYVGXGQ-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 79856688
1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857270
2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid
CID 79928539
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
CID 114818360
4,4-dimethyl-1-(2-methylanilino)cycloheptane-1-carboxylic acid
CID 65085552
1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79847327
1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79856476
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 104597875
2-methyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 65045334
8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60992317
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid (CID 79848111) is 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid is Cc1ccccc1NC1(C(=O)O)CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid?
The InChIKey is KHAWTCAXYVGXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-8-4-5-9-13(12)17-16(14(18)19)11-7-6-10-15(16,2)3/h4-5,8-9,17H,6-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid?
2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid has a molecular weight of 261.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79848111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).