2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid

C14H27NO2 — CID 64526394

IUPAC2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
SMILESCN(C)C1(CC(=O)O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)11-6-8-14(9-7-11,15(4)5)10-12(16)17/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyOWIUGFLHNFOINJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds3

About 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid

2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid (PubChem CID 64526394) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
PubChem CID64526394
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
SMILESCN(C)C1(CC(=O)O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)11-6-8-14(9-7-11,15(4)5)10-12(16)17/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyOWIUGFLHNFOINJ-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid (CID 64526394) is 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid is CN(C)C1(CC(=O)O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid?
The InChIKey is OWIUGFLHNFOINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)11-6-8-14(9-7-11,15(4)5)10-12(16)17/h11H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid?
2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64526394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).