2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine

C18H36N2O — CID 104575361

IUPAC2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine
SMILESCCC1CN(C(CN)C2CCC(C(C)(C)C)CC2)CCO1
InChIInChI=1S/C18H36N2O/c1-5-16-13-20(10-11-21-16)17(12-19)14-6-8-15(9-7-14)18(2,3)4/h14-17H,5-13,19H2,1-4H3
InChIKeyNVWFDUATLLWSSK-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine

2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine (PubChem CID 104575361) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine
PubChem CID104575361
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine
SMILESCCC1CN(C(CN)C2CCC(C(C)(C)C)CC2)CCO1
InChIInChI=1S/C18H36N2O/c1-5-16-13-20(10-11-21-16)17(12-19)14-6-8-15(9-7-14)18(2,3)4/h14-17H,5-13,19H2,1-4H3
InChIKeyNVWFDUATLLWSSK-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine (CID 104575361) is 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine is CCC1CN(C(CN)C2CCC(C(C)(C)C)CC2)CCO1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine?
The InChIKey is NVWFDUATLLWSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-16-13-20(10-11-21-16)17(12-19)14-6-8-15(9-7-14)18(2,3)4/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine?
2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine has a molecular weight of 296.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 104575361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).