4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid

C21H34N2O2 — CID 122034736

IUPAC4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(CNC2CCC(C(=O)O)CC2)N(CC)CC)cc1
InChIInChI=1S/C21H34N2O2/c1-4-16-7-9-17(10-8-16)20(23(5-2)6-3)15-22-19-13-11-18(12-14-19)21(24)25/h7-10,18-20,22H,4-6,11-15H2,1-3H3,(H,24,25)
InChIKeyDYUITLHCYRGGQA-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.86
Rot. Bonds9

About 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122034736) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122034736
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(CNC2CCC(C(=O)O)CC2)N(CC)CC)cc1
InChIInChI=1S/C21H34N2O2/c1-4-16-7-9-17(10-8-16)20(23(5-2)6-3)15-22-19-13-11-18(12-14-19)21(24)25/h7-10,18-20,22H,4-6,11-15H2,1-3H3,(H,24,25)
InChIKeyDYUITLHCYRGGQA-UHFFFAOYSA-N
XLogP3.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43081728
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 81015305
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122032281
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid
CID 122057704
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
CID 122031119

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid (CID 122034736) is 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid is CCc1ccc(C(CNC2CCC(C(=O)O)CC2)N(CC)CC)cc1.
What is the InChIKey of 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DYUITLHCYRGGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-4-16-7-9-17(10-8-16)20(23(5-2)6-3)15-22-19-13-11-18(12-14-19)21(24)25/h7-10,18-20,22H,4-6,11-15H2,1-3H3,(H,24,25).
What are the key properties of 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 346.52 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122034736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).