2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid

C14H27NO2 — CID 64745297

IUPAC2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid
SMILESCCN(CC)C1(CC(=O)O)CCC(C)C(C)C1
InChIInChI=1S/C14H27NO2/c1-5-15(6-2)14(10-13(16)17)8-7-11(3)12(4)9-14/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyWPPIZUAPPSSQRB-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds5

About 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid

2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid (PubChem CID 64745297) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid
PubChem CID64745297
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid
SMILESCCN(CC)C1(CC(=O)O)CCC(C)C(C)C1
InChIInChI=1S/C14H27NO2/c1-5-15(6-2)14(10-13(16)17)8-7-11(3)12(4)9-14/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyWPPIZUAPPSSQRB-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

2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
CID 65087597
2-[1-(dimethylamino)-3-methylcyclopentyl]acetic acid
CID 64527962
2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid
CID 64745099
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64745254
2-[4-(diethylamino)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526617
2-[1-(diethylamino)-2,4,4-trimethylcyclopentyl]acetic acid
CID 106664177
2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
CID 64526394
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-(diethylamino)-2-phenylcyclohexyl]acetic acid
CID 105403455
2-(1-amino-4-methylcyclohexyl)acetic acid
CID 64664304
1-fluoro-3,4-dimethylcyclohexane-1-carboxylic acid
CID 89159789
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
CID 65241075

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid (CID 64745297) is 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid is CCN(CC)C1(CC(=O)O)CCC(C)C(C)C1.
What is the InChIKey of 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid?
The InChIKey is WPPIZUAPPSSQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-15(6-2)14(10-13(16)17)8-7-11(3)12(4)9-14/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid?
2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic 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 2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid is sourced from PubChem (CID 64745297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).