[4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol

C19H39N3O2 — CID 126724874

IUPAC[4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol
SMILESCN(CC1CN(C(C)(C)C)CC(CO)O1)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C19H39N3O2/c1-18(2,3)21-9-8-15(10-21)20(7)11-16-12-22(19(4,5)6)13-17(14-23)24-16/h15-17,23H,8-14H2,1-7H3
InChIKeyJEVIQZAQVRKBSK-UHFFFAOYSA-N
MW341.54 g/mol
LogP1.65
Rot. Bonds4

About [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol

[4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol (PubChem CID 126724874) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol
PubChem CID126724874
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC Name[4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol
SMILESCN(CC1CN(C(C)(C)C)CC(CO)O1)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C19H39N3O2/c1-18(2,3)21-9-8-15(10-21)20(7)11-16-12-22(19(4,5)6)13-17(14-23)24-16/h15-17,23H,8-14H2,1-7H3
InChIKeyJEVIQZAQVRKBSK-UHFFFAOYSA-N
XLogP1.65
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol (CID 126724874) is [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol is CN(CC1CN(C(C)(C)C)CC(CO)O1)C1CCN(C(C)(C)C)C1.
What is the InChIKey of [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol?
The InChIKey is JEVIQZAQVRKBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O2/c1-18(2,3)21-9-8-15(10-21)20(7)11-16-12-22(19(4,5)6)13-17(14-23)24-16/h15-17,23H,8-14H2,1-7H3.
What are the key properties of [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol?
[4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol has a molecular weight of 341.54 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 126724874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).