1-(diethylaminomethyl)cyclohexane-1-carboxylic acid

C12H23NO2 — CID 62272290

IUPAC1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
SMILESCCN(CC)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-13(4-2)10-12(11(14)15)8-6-5-7-9-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyRZMKJAMPZILIFR-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds5

About 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid

1-(diethylaminomethyl)cyclohexane-1-carboxylic acid (PubChem CID 62272290) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
PubChem CID62272290
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
SMILESCCN(CC)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-13(4-2)10-12(11(14)15)8-6-5-7-9-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyRZMKJAMPZILIFR-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55055794
1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270493
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271215
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270125
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 166944123
1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433944
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655

Frequently Asked Questions

What is the IUPAC name of 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid (CID 62272290) is 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid is CCN(CC)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid?
The InChIKey is RZMKJAMPZILIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13(4-2)10-12(11(14)15)8-6-5-7-9-12/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid?
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylaminomethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62272290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).