ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate

C15H30N2O2 — CID 63404510

IUPACethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C1CC(CC)CCC1CN
InChIInChI=1S/C15H30N2O2/c1-4-12-6-7-13(11-16)14(10-12)17(3)9-8-15(18)19-5-2/h12-14H,4-11,16H2,1-3H3
InChIKeyRAIMAFIEEAENON-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds7

About ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate

ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate (PubChem CID 63404510) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate
PubChem CID63404510
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C1CC(CC)CCC1CN
InChIInChI=1S/C15H30N2O2/c1-4-12-6-7-13(11-16)14(10-12)17(3)9-8-15(18)19-5-2/h12-14H,4-11,16H2,1-3H3
InChIKeyRAIMAFIEEAENON-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate?
The IUPAC name of ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate (CID 63404510) is ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate is CCOC(=O)CCN(C)C1CC(CC)CCC1CN.
What is the InChIKey of ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate?
The InChIKey is RAIMAFIEEAENON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-12-6-7-13(11-16)14(10-12)17(3)9-8-15(18)19-5-2/h12-14H,4-11,16H2,1-3H3.
What are the key properties of ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate?
ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate is sourced from PubChem (CID 63404510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).