3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol

C13H29NO4 — CID 106990049

IUPAC3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COC(C)COC
InChIInChI=1S/C13H29NO4/c1-5-13(16,6-2)10-14-7-12(15)9-18-11(3)8-17-4/h11-12,14-16H,5-10H2,1-4H3
InChIKeyOBDQYXSDUSILLA-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.54
Rot. Bonds11

About 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol

3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol (PubChem CID 106990049) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
PubChem CID106990049
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COC(C)COC
InChIInChI=1S/C13H29NO4/c1-5-13(16,6-2)10-14-7-12(15)9-18-11(3)8-17-4/h11-12,14-16H,5-10H2,1-4H3
InChIKeyOBDQYXSDUSILLA-UHFFFAOYSA-N
XLogP0.54
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol with MolForge

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Related Compounds

3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111279
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 106990337
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
3-[(2,2-dimethoxyethylamino)methyl]pentan-3-ol
CID 65108452
N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
CID 106989516

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol (CID 106990049) is 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNCC(O)COC(C)COC.
What is the InChIKey of 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol?
The InChIKey is OBDQYXSDUSILLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-5-13(16,6-2)10-14-7-12(15)9-18-11(3)8-17-4/h11-12,14-16H,5-10H2,1-4H3.
What are the key properties of 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol?
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol has a molecular weight of 263.38 g/mol, XLogP of 0.54, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 106990049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).