[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine

C17H34N2O — CID 43575808

IUPAC[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CC(C)OCC2CC)C1
InChIInChI=1S/C17H34N2O/c1-4-6-14-7-8-15(10-18)17(9-14)19-11-13(3)20-12-16(19)5-2/h13-17H,4-12,18H2,1-3H3
InChIKeyXVGYTOHESXHRNX-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds5

About [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine

[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine (PubChem CID 43575808) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
PubChem CID43575808
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CC(C)OCC2CC)C1
InChIInChI=1S/C17H34N2O/c1-4-6-14-7-8-15(10-18)17(9-14)19-11-13(3)20-12-16(19)5-2/h13-17H,4-12,18H2,1-3H3
InChIKeyXVGYTOHESXHRNX-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine (CID 43575808) is [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(N2CC(C)OCC2CC)C1.
What is the InChIKey of [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is XVGYTOHESXHRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-6-14-7-8-15(10-18)17(9-14)19-11-13(3)20-12-16(19)5-2/h13-17H,4-12,18H2,1-3H3.
What are the key properties of [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine?
[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43575808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).