2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid

C13H25NO3 — CID 65243143

IUPAC2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
SMILESCCOCCN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H25NO3/c1-3-17-10-9-14(2)13(11-12(15)16)7-5-4-6-8-13/h3-11H2,1-2H3,(H,15,16)
InChIKeyVTVALXFGKSBUSI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds7

About 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65243143) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65243143
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
SMILESCCOCCN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H25NO3/c1-3-17-10-9-14(2)13(11-12(15)16)7-5-4-6-8-13/h3-11H2,1-2H3,(H,15,16)
InChIKeyVTVALXFGKSBUSI-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid
CID 65243197
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
CID 65243426
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid
CID 116503333
2-[1-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]cyclohexyl]acetic acid
CID 82888447
2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
CID 81058742
2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65243348
2-[1-[(3-cyano-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 65250824
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 64677265

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid (CID 65243143) is 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid is CCOCCN(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is VTVALXFGKSBUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-17-10-9-14(2)13(11-12(15)16)7-5-4-6-8-13/h3-11H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 243.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).