4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid

C11H22N2O2 — CID 60809881

IUPAC4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid
SMILESCN(C)CCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-13(2)8-7-12-10-5-3-9(4-6-10)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyAMJUWSOGXKWXIY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds5

About 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid

4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 60809881) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID60809881
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid
SMILESCN(C)CCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-13(2)8-7-12-10-5-3-9(4-6-10)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyAMJUWSOGXKWXIY-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid (CID 60809881) is 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid is CN(C)CCNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is AMJUWSOGXKWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(2)8-7-12-10-5-3-9(4-6-10)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid?
4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).