ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate

C13H25NO3 — CID 65050515

IUPACethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
SMILESCCOC(=O)C(C)OC1(CN)CCC(C)CC1
InChIInChI=1S/C13H25NO3/c1-4-16-12(15)11(3)17-13(9-14)7-5-10(2)6-8-13/h10-11H,4-9,14H2,1-3H3
InChIKeyKMPJUROISDGKKB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.86
Rot. Bonds5

About ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate

ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate (PubChem CID 65050515) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
PubChem CID65050515
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
SMILESCCOC(=O)C(C)OC1(CN)CCC(C)CC1
InChIInChI=1S/C13H25NO3/c1-4-16-12(15)11(3)17-13(9-14)7-5-10(2)6-8-13/h10-11H,4-9,14H2,1-3H3
InChIKeyKMPJUROISDGKKB-UHFFFAOYSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoate
CID 65052924
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypentanoate
CID 83036005
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65051160
2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide
CID 65052713
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052853
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]oxybutanoate
CID 65052800
[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65052797
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide
CID 65052232
(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine
CID 107895575
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
CID 65052926

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate?
The IUPAC name of ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate (CID 65050515) is ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate.
What is the SMILES notation for ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate?
The canonical SMILES for ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate is CCOC(=O)C(C)OC1(CN)CCC(C)CC1.
What is the InChIKey of ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate?
The InChIKey is KMPJUROISDGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-16-12(15)11(3)17-13(9-14)7-5-10(2)6-8-13/h10-11H,4-9,14H2,1-3H3.
What are the key properties of ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate?
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate has a molecular weight of 243.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate is sourced from PubChem (CID 65050515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).