4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid

C14H27NO2 — CID 116908335

IUPAC4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
SMILESCN(C)C(CC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,13(16)17)10-12(15(3)4)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyUKAUPOMNVLUSFU-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds5

About 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid

4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid (PubChem CID 116908335) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
PubChem CID116908335
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
SMILESCN(C)C(CC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,13(16)17)10-12(15(3)4)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyUKAUPOMNVLUSFU-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908334
4-(dimethylamino)-2,2-dimethyl-4-(oxan-4-yl)butanoic acid
CID 116908336
[(1R,2R)-2-azanidylcyclohexyl]azanide;bis(4-ethyl-2,2-dimethylhexanoic acid);platinum(2+)
CID 24812603
4-cyclopentyl-4-(dimethylamino)-2-methylbutanoic acid
CID 116908291
(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
CID 93297325
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
5-cyclobutyl-5-(dimethylamino)pentanoic acid
CID 116907953
2-cyclobutyl-2-(dimethylamino)ethanol
CID 116857326
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide
CID 94119176
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride
CID 119850478
4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
CID 119850509

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid (CID 116908335) is 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid is CN(C)C(CC(C)(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid?
The InChIKey is UKAUPOMNVLUSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,13(16)17)10-12(15(3)4)11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid?
4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(dimethylamino)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 116908335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).