2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine

C21H42N2O2 — CID 126513800

IUPAC2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine
SMILESCC(C)N1CC(CCC2(C)CN(C(C)C)CC(C)(C)O2)OC(C)(C)C1
InChIInChI=1S/C21H42N2O2/c1-16(2)22-12-18(24-19(5,6)13-22)10-11-21(9)15-23(17(3)4)14-20(7,8)25-21/h16-18H,10-15H2,1-9H3
InChIKeySIYUDRIFACIPRU-UHFFFAOYSA-N
MW354.58 g/mol
LogP3.93
Rot. Bonds5

About 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine

2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine (PubChem CID 126513800) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine
PubChem CID126513800
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine
SMILESCC(C)N1CC(CCC2(C)CN(C(C)C)CC(C)(C)O2)OC(C)(C)C1
InChIInChI=1S/C21H42N2O2/c1-16(2)22-12-18(24-19(5,6)13-22)10-11-21(9)15-23(17(3)4)14-20(7,8)25-21/h16-18H,10-15H2,1-9H3
InChIKeySIYUDRIFACIPRU-UHFFFAOYSA-N
XLogP3.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine?
The IUPAC name of 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine (CID 126513800) is 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine is CC(C)N1CC(CCC2(C)CN(C(C)C)CC(C)(C)O2)OC(C)(C)C1.
What is the InChIKey of 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine?
The InChIKey is SIYUDRIFACIPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-16(2)22-12-18(24-19(5,6)13-22)10-11-21(9)15-23(17(3)4)14-20(7,8)25-21/h16-18H,10-15H2,1-9H3.
What are the key properties of 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine?
2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine has a molecular weight of 354.58 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,6-dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine is sourced from PubChem (CID 126513800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).