4-(dimethylamino)cyclohexane-1-carboxylic acid

C9H17NO2 — CID 14876726

IUPAC4-(dimethylamino)cyclohexane-1-carboxylic acid
SMILESCN(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyGTUZTWPXWNPFPX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds2

About 4-(dimethylamino)cyclohexane-1-carboxylic acid

4-(dimethylamino)cyclohexane-1-carboxylic acid (PubChem CID 14876726) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(dimethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)cyclohexane-1-carboxylic acid
PubChem CID14876726
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(dimethylamino)cyclohexane-1-carboxylic acid
SMILESCN(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyGTUZTWPXWNPFPX-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(dimethylamino)cyclohexane-1-carboxylic acid (CID 14876726) is 4-(dimethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)cyclohexane-1-carboxylic acid is CN(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(dimethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GTUZTWPXWNPFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-(dimethylamino)cyclohexane-1-carboxylic acid?
4-(dimethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 14876726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).