2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid

C13H25NO2 — CID 66097102

IUPAC2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid
SMILESCCC(N)C1(CC(=O)O)CCCCC1CC
InChIInChI=1S/C13H25NO2/c1-3-10-7-5-6-8-13(10,9-12(15)16)11(14)4-2/h10-11H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyAQKQPHOTKAXNCK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.79
Rot. Bonds5

About 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid

2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid (PubChem CID 66097102) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid
PubChem CID66097102
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid
SMILESCCC(N)C1(CC(=O)O)CCCCC1CC
InChIInChI=1S/C13H25NO2/c1-3-10-7-5-6-8-13(10,9-12(15)16)11(14)4-2/h10-11H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyAQKQPHOTKAXNCK-UHFFFAOYSA-N
XLogP2.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2-diethylcyclohexyl)propanedioic acid
CID 69475153
2-[1-(1-aminopropyl)-3-ethylcyclopentyl]acetic acid
CID 66096901
1-(1,2-diethylcyclohexyl)dodecan-1-amine;hydrate
CID 173347592
2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid
CID 66097341
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
CID 103565425
2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid
CID 70517703
2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240551
2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid
CID 55288762
2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 130526334
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid
CID 106664392

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid (CID 66097102) is 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid is CCC(N)C1(CC(=O)O)CCCCC1CC.
What is the InChIKey of 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid?
The InChIKey is AQKQPHOTKAXNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-10-7-5-6-8-13(10,9-12(15)16)11(14)4-2/h10-11H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid?
2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid has a molecular weight of 227.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid is sourced from PubChem (CID 66097102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).