4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine

C20H39NO — CID 12940609

IUPAC4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1CCC(C(C)(C)C)CC1)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H39NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h15-19H,7-14H2,1-6H3
InChIKeyLTVXTJKHUZIRIZ-UHFFFAOYSA-N
MW309.54 g/mol
LogP4.97
Rot. Bonds4

About 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine

4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 12940609) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID12940609
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1CCC(C(C)(C)C)CC1)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H39NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h15-19H,7-14H2,1-6H3
InChIKeyLTVXTJKHUZIRIZ-UHFFFAOYSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine (CID 12940609) is 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine is CC(CC1CCC(C(C)(C)C)CC1)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is LTVXTJKHUZIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h15-19H,7-14H2,1-6H3.
What are the key properties of 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine?
4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 309.54 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylcyclohexyl)-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 12940609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).