4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine

C16H32N2O — CID 134453073

IUPAC4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine
SMILESCC(C)(C)N1CCC(CC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-15(2,3)18-7-6-14(13-18)12-16(4,5)17-8-10-19-11-9-17/h14H,6-13H2,1-5H3
InChIKeyIFZKVCXWALGGBE-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds3

About 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine

4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine (PubChem CID 134453073) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine
PubChem CID134453073
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine
SMILESCC(C)(C)N1CCC(CC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-15(2,3)18-7-6-14(13-18)12-16(4,5)17-8-10-19-11-9-17/h14H,6-13H2,1-5H3
InChIKeyIFZKVCXWALGGBE-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine (CID 134453073) is 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine is CC(C)(C)N1CCC(CC(C)(C)N2CCOCC2)C1.
What is the InChIKey of 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine?
The InChIKey is IFZKVCXWALGGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)18-7-6-14(13-18)12-16(4,5)17-8-10-19-11-9-17/h14H,6-13H2,1-5H3.
What are the key properties of 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine?
4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 134453073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).