2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid

C11H21NO2 — CID 64528940

IUPAC2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid
SMILESCC1CCCCC1(CC(=O)O)N(C)C
InChIInChI=1S/C11H21NO2/c1-9-6-4-5-7-11(9,12(2)3)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyHLVMXTUQFQUZNO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds3

About 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid

2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid (PubChem CID 64528940) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid
PubChem CID64528940
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid
SMILESCC1CCCCC1(CC(=O)O)N(C)C
InChIInChI=1S/C11H21NO2/c1-9-6-4-5-7-11(9,12(2)3)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyHLVMXTUQFQUZNO-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
CID 64527365
2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid
CID 105403455
[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride
CID 10656622
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64527605
2-methylcyclohexane-1,1-diamine;pentanedioic acid
CID 175047098
2-[1-(dimethylamino)-3-methylcyclopentyl]acetic acid
CID 64527962
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
2-[1-(cyclopentylamino)cyclopentyl]acetic acid
CID 82933315
2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid
CID 81368303
2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid
CID 83909857

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid (CID 64528940) is 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid is CC1CCCCC1(CC(=O)O)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid?
The InChIKey is HLVMXTUQFQUZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-6-4-5-7-11(9,12(2)3)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid?
2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid is sourced from PubChem (CID 64528940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).