4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine

C18H36N2O2 — CID 167252830

IUPAC4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine
SMILESCOC1CN(CC2CN(C(C)(C)C)CCO2)CC1C(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-17(2,3)15-12-19(13-16(15)21-7)10-14-11-20(8-9-22-14)18(4,5)6/h14-16H,8-13H2,1-7H3
InChIKeyYITVXCPTYXXQOU-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.48
Rot. Bonds3

About 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine

4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine (PubChem CID 167252830) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine
PubChem CID167252830
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine
SMILESCOC1CN(CC2CN(C(C)(C)C)CCO2)CC1C(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-17(2,3)15-12-19(13-16(15)21-7)10-14-11-20(8-9-22-14)18(4,5)6/h14-16H,8-13H2,1-7H3
InChIKeyYITVXCPTYXXQOU-UHFFFAOYSA-N
XLogP2.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine?
The IUPAC name of 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine (CID 167252830) is 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine.
What is the SMILES notation for 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine?
The canonical SMILES for 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine is COC1CN(CC2CN(C(C)(C)C)CCO2)CC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine?
The InChIKey is YITVXCPTYXXQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-17(2,3)15-12-19(13-16(15)21-7)10-14-11-20(8-9-22-14)18(4,5)6/h14-16H,8-13H2,1-7H3.
What are the key properties of 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine?
4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine has a molecular weight of 312.50 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine is sourced from PubChem (CID 167252830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).