2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid

C14H23N3O2 — CID 102628071

IUPAC2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1C(Nc2nccn2C)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H23N3O2/c1-9-11(16-13-15-7-8-17(13)4)6-5-10(12(18)19)14(9,2)3/h7-11H,5-6H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyTZHJNHSDEDLBJR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.36
Rot. Bonds3

About 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 102628071) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID102628071
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC1C(Nc2nccn2C)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H23N3O2/c1-9-11(16-13-15-7-8-17(13)4)6-5-10(12(18)19)14(9,2)3/h7-11H,5-6H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyTZHJNHSDEDLBJR-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 102628098
2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107971728
4-[(4-methoxypyrimidin-2-yl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102628091
2,2,3-trimethyl-4-(1,3-thiazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 102627554
2,2,3-trimethyl-4-[(2-methylpyrazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 102631023
4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631049
1-methyl-N-(2-methylcyclohexyl)imidazol-2-amine
CID 62132741
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 102627481
N-cyclohexyl-1-methylimidazol-2-amine
CID 57183550
2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 102627574
4-(but-2-ynoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 107987004
1-N-(1-methylimidazol-2-yl)cyclopentane-1,2-diamine
CID 63252580

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid (CID 102628071) is 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid is CC1C(Nc2nccn2C)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is TZHJNHSDEDLBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-11(16-13-15-7-8-17(13)4)6-5-10(12(18)19)14(9,2)3/h7-11H,5-6H2,1-4H3,(H,15,16)(H,18,19).
What are the key properties of 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102628071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).