1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid

C10H19NO2 — CID 23088714

IUPAC1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H19NO2/c1-11(2)8-10(9(12)13)6-4-3-5-7-10/h3-8H2,1-2H3,(H,12,13)
InChIKeyOBVIJTWRPXXDBW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid

1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 23088714) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID23088714
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H19NO2/c1-11(2)8-10(9(12)13)6-4-3-5-7-10/h3-8H2,1-2H3,(H,12,13)
InChIKeyOBVIJTWRPXXDBW-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
1-[(dimethylamino)methyl]cyclopentane-1-carboxamide
CID 67060933
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270125
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
3-[(dimethylamino)methyl]oxane-3-carboxylic acid
CID 63740353
1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 166944123
1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270493
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63008835
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid (CID 23088714) is 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid is CN(C)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OBVIJTWRPXXDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(2)8-10(9(12)13)6-4-3-5-7-10/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid?
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23088714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).