4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine

C18H31NOS — CID 146556242

IUPAC4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine
SMILESCC1CN(C(C)(C)C)CC(CCC(C)(C)c2ccsc2)O1
InChIInChI=1S/C18H31NOS/c1-14-11-19(17(2,3)4)12-16(20-14)7-9-18(5,6)15-8-10-21-13-15/h8,10,13-14,16H,7,9,11-12H2,1-6H3
InChIKeyRSZJUEMIMATGLE-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.69
Rot. Bonds4

About 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine

4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine (PubChem CID 146556242) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine
PubChem CID146556242
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC Name4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine
SMILESCC1CN(C(C)(C)C)CC(CCC(C)(C)c2ccsc2)O1
InChIInChI=1S/C18H31NOS/c1-14-11-19(17(2,3)4)12-16(20-14)7-9-18(5,6)15-8-10-21-13-15/h8,10,13-14,16H,7,9,11-12H2,1-6H3
InChIKeyRSZJUEMIMATGLE-UHFFFAOYSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine?
The IUPAC name of 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine (CID 146556242) is 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine.
What is the SMILES notation for 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine?
The canonical SMILES for 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine is CC1CN(C(C)(C)C)CC(CCC(C)(C)c2ccsc2)O1.
What is the InChIKey of 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine?
The InChIKey is RSZJUEMIMATGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOS/c1-14-11-19(17(2,3)4)12-16(20-14)7-9-18(5,6)15-8-10-21-13-15/h8,10,13-14,16H,7,9,11-12H2,1-6H3.
What are the key properties of 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine?
4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine has a molecular weight of 309.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-6-(3-methyl-3-thiophen-3-ylbutyl)morpholine is sourced from PubChem (CID 146556242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).