3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol

C13H25NO4 — CID 106100527

IUPAC3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)COC1CCCC1
InChIInChI=1S/C13H25NO4/c15-11(8-18-12-3-1-2-4-12)7-14-9-13(16)5-6-17-10-13/h11-12,14-16H,1-10H2
InChIKeyYHQPTMXSGHWINM-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.05
Rot. Bonds7

About 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol

3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol (PubChem CID 106100527) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol
PubChem CID106100527
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)COC1CCCC1
InChIInChI=1S/C13H25NO4/c15-11(8-18-12-3-1-2-4-12)7-14-9-13(16)5-6-17-10-13/h11-12,14-16H,1-10H2
InChIKeyYHQPTMXSGHWINM-UHFFFAOYSA-N
XLogP0.05
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-Fluoropropylamino)methyl]oxolan-3-ol
CID 106100456
3-[(2-Fluoroethylamino)methyl]-2-methyloxolan-3-ol
CID 106100915
2-Methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100920
3-[(3-Fluoropropylamino)methyl]-2-methyloxolan-3-ol
CID 106100931
4-Cyclopentyloxypyrrolidin-3-ol
CID 67293796
(4S)-4-cyclopentyloxypyrrolidin-3-ol
CID 67293799
(3S,4S)-4-cyclopentyloxypyrrolidin-3-ol
CID 67293934
(3R,4R)-4-cyclopentyloxypyrrolidin-3-ol
CID 67293941
4-(1-Methylcyclopentyl)oxypyrrolidin-3-ol
CID 67300073
(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol
CID 67300075
3-[4-(2-Hydroxy-4-methylpentoxy)butylamino]propane-1,2-diol
CID 166889374
1-(4-Methylpentoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54913546

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol (CID 106100527) is 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol is OC(CNCC1(O)CCOC1)COC1CCCC1.
What is the InChIKey of 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
The InChIKey is YHQPTMXSGHWINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c15-11(8-18-12-3-1-2-4-12)7-14-9-13(16)5-6-17-10-13/h11-12,14-16H,1-10H2.
What are the key properties of 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol?
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol has a molecular weight of 259.35 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).