2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid

C12H23NO2 — CID 66096041

IUPAC2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
SMILESCCC1CCC(CC(=O)O)(C(C)N)CC1
InChIInChI=1S/C12H23NO2/c1-3-10-4-6-12(7-5-10,9(2)13)8-11(14)15/h9-10H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyYTCISJZIRNQIRV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.39
Rot. Bonds4

About 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid

2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid (PubChem CID 66096041) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
PubChem CID66096041
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
SMILESCCC1CCC(CC(=O)O)(C(C)N)CC1
InChIInChI=1S/C12H23NO2/c1-3-10-4-6-12(7-5-10,9(2)13)8-11(14)15/h9-10H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyYTCISJZIRNQIRV-UHFFFAOYSA-N
XLogP2.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-aminopropyl)-3-ethylcyclopentyl]acetic acid
CID 66096901
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66096455
2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
CID 66098761
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]-2-hydroxyacetate
CID 79125049
4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
CID 114989210
(1-amino-4-ethylcyclohexyl)methanol
CID 61055822
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
CID 124509233
2-aminoacetic acid;ethylcyclopropane
CID 144543522
2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
CID 65087597
2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233526
2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
CID 103565425
2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 130526334

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid (CID 66096041) is 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid is CCC1CCC(CC(=O)O)(C(C)N)CC1.
What is the InChIKey of 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid?
The InChIKey is YTCISJZIRNQIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10-4-6-12(7-5-10,9(2)13)8-11(14)15/h9-10H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid?
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid is sourced from PubChem (CID 66096041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).