ethyl 2-(1-amino-4-propylcyclohexyl)acetate

C13H25NO2 — CID 79848370

IUPACethyl 2-(1-amino-4-propylcyclohexyl)acetate
SMILESCCCC1CCC(N)(CC(=O)OCC)CC1
InChIInChI=1S/C13H25NO2/c1-3-5-11-6-8-13(14,9-7-11)10-12(15)16-4-2/h11H,3-10,14H2,1-2H3
InChIKeyADDXZAOSHONZMC-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-(1-amino-4-propylcyclohexyl)acetate

ethyl 2-(1-amino-4-propylcyclohexyl)acetate (PubChem CID 79848370) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-(1-amino-4-propylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-amino-4-propylcyclohexyl)acetate
PubChem CID79848370
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-(1-amino-4-propylcyclohexyl)acetate
SMILESCCCC1CCC(N)(CC(=O)OCC)CC1
InChIInChI=1S/C13H25NO2/c1-3-5-11-6-8-13(14,9-7-11)10-12(15)16-4-2/h11H,3-10,14H2,1-2H3
InChIKeyADDXZAOSHONZMC-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate
CID 165450789
ethyl 2-(4-amino-2-propyloxan-4-yl)acetate
CID 79848209
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
2-(1-aminocyclopentyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 64677432
ethyl 2-[(1S,3R)-1-(nitromethyl)-3-propylcyclohexyl]acetate
CID 10588190
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
1-(2-methylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 62596905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-amino-4-propylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(1-amino-4-propylcyclohexyl)acetate (CID 79848370) is ethyl 2-(1-amino-4-propylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(1-amino-4-propylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(1-amino-4-propylcyclohexyl)acetate is CCCC1CCC(N)(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-(1-amino-4-propylcyclohexyl)acetate?
The InChIKey is ADDXZAOSHONZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-11-6-8-13(14,9-7-11)10-12(15)16-4-2/h11H,3-10,14H2,1-2H3.
What are the key properties of ethyl 2-(1-amino-4-propylcyclohexyl)acetate?
ethyl 2-(1-amino-4-propylcyclohexyl)acetate has a molecular weight of 227.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-amino-4-propylcyclohexyl)acetate is sourced from PubChem (CID 79848370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).