1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid

C13H25NO2 — CID 115000390

IUPAC1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(C)(C)C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)10-14(4)13(11(15)16)8-6-5-7-9-13/h5-10H2,1-4H3,(H,15,16)
InChIKeyCTUXYDCCKUYELX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds3

About 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid

1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115000390) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115000390
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC(C)(C)C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)10-14(4)13(11(15)16)8-6-5-7-9-13/h5-10H2,1-4H3,(H,15,16)
InChIKeyCTUXYDCCKUYELX-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 115000390) is 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(CC(C)(C)C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CTUXYDCCKUYELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)10-14(4)13(11(15)16)8-6-5-7-9-13/h5-10H2,1-4H3,(H,15,16).
What are the key properties of 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid?
1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115000390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).