methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate

C15H28N2O3 — CID 115533866

IUPACmethyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate
SMILESCCC1CCC(CN)C(N2CCOC(C(=O)OC)C2)C1
InChIInChI=1S/C15H28N2O3/c1-3-11-4-5-12(9-16)13(8-11)17-6-7-20-14(10-17)15(18)19-2/h11-14H,3-10,16H2,1-2H3
InChIKeyOBSFVCZRBRAEEG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.01
Rot. Bonds4

About methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate

methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate (PubChem CID 115533866) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate
PubChem CID115533866
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate
SMILESCCC1CCC(CN)C(N2CCOC(C(=O)OC)C2)C1
InChIInChI=1S/C15H28N2O3/c1-3-11-4-5-12(9-16)13(8-11)17-6-7-20-14(10-17)15(18)19-2/h11-14H,3-10,16H2,1-2H3
InChIKeyOBSFVCZRBRAEEG-UHFFFAOYSA-N
XLogP1.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate (CID 115533866) is methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate is CCC1CCC(CN)C(N2CCOC(C(=O)OC)C2)C1.
What is the InChIKey of methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate?
The InChIKey is OBSFVCZRBRAEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-11-4-5-12(9-16)13(8-11)17-6-7-20-14(10-17)15(18)19-2/h11-14H,3-10,16H2,1-2H3.
What are the key properties of methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate?
methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(aminomethyl)-5-ethylcyclohexyl]morpholine-2-carboxylate is sourced from PubChem (CID 115533866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).