4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol

C13H27NO4 — CID 114951900

IUPAC4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol
SMILESCC(C)OCC(O)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C13H27NO4/c1-11(2)18-9-12(15)8-14(3)10-13(16)4-6-17-7-5-13/h11-12,15-16H,4-10H2,1-3H3
InChIKeyZSSPWMFFFGGFHX-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.25
Rot. Bonds7

About 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol

4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol (PubChem CID 114951900) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol
PubChem CID114951900
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol
SMILESCC(C)OCC(O)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C13H27NO4/c1-11(2)18-9-12(15)8-14(3)10-13(16)4-6-17-7-5-13/h11-12,15-16H,4-10H2,1-3H3
InChIKeyZSSPWMFFFGGFHX-UHFFFAOYSA-N
XLogP0.25
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol (CID 114951900) is 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol is CC(C)OCC(O)CN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol?
The InChIKey is ZSSPWMFFFGGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-11(2)18-9-12(15)8-14(3)10-13(16)4-6-17-7-5-13/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol?
4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol has a molecular weight of 261.36 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114951900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).