3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol

C11H25NO3 — CID 65111279

IUPAC3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
SMILESCCOCC(O)CNCC(O)(CC)CC
InChIInChI=1S/C11H25NO3/c1-4-11(14,5-2)9-12-7-10(13)8-15-6-3/h10,12-14H,4-9H2,1-3H3
InChIKeyCHBPIXRXPZMKRG-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.52
Rot. Bonds9

About 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol

3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol (PubChem CID 65111279) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
PubChem CID65111279
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
SMILESCCOCC(O)CNCC(O)(CC)CC
InChIInChI=1S/C11H25NO3/c1-4-11(14,5-2)9-12-7-10(13)8-15-6-3/h10,12-14H,4-9H2,1-3H3
InChIKeyCHBPIXRXPZMKRG-UHFFFAOYSA-N
XLogP0.52
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106256034
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
CID 106990049
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
3-[[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]methyl]pentan-3-ol
CID 65111546
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol
CID 65108452
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793
1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63934625
3-[[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]methyl]pentan-3-ol
CID 65111897
3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
CID 65111953

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol (CID 65111279) is 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol is CCOCC(O)CNCC(O)(CC)CC.
What is the InChIKey of 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol?
The InChIKey is CHBPIXRXPZMKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-4-11(14,5-2)9-12-7-10(13)8-15-6-3/h10,12-14H,4-9H2,1-3H3.
What are the key properties of 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol?
3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol has a molecular weight of 219.32 g/mol, XLogP of 0.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65111279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).