2-(4-tert-butylcyclohexyl)-6-ethylmorpholine

C16H31NO — CID 113428599

IUPAC2-(4-tert-butylcyclohexyl)-6-ethylmorpholine
SMILESCCC1CNCC(C2CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C16H31NO/c1-5-14-10-17-11-15(18-14)12-6-8-13(9-7-12)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyKUMUCTLDQOZZJA-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds2

About 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine

2-(4-tert-butylcyclohexyl)-6-ethylmorpholine (PubChem CID 113428599) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-6-ethylmorpholine
PubChem CID113428599
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(4-tert-butylcyclohexyl)-6-ethylmorpholine
SMILESCCC1CNCC(C2CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C16H31NO/c1-5-14-10-17-11-15(18-14)12-6-8-13(9-7-12)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyKUMUCTLDQOZZJA-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine (CID 113428599) is 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine is CCC1CNCC(C2CCC(C(C)(C)C)CC2)O1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine?
The InChIKey is KUMUCTLDQOZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-14-10-17-11-15(18-14)12-6-8-13(9-7-12)16(2,3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine?
2-(4-tert-butylcyclohexyl)-6-ethylmorpholine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-6-ethylmorpholine is sourced from PubChem (CID 113428599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).