1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol

C14H30N2O3 — CID 106989617

IUPAC1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNC(C)CN1CCCC1
InChIInChI=1S/C14H30N2O3/c1-12(9-16-6-4-5-7-16)15-8-14(17)11-19-13(2)10-18-3/h12-15,17H,4-11H2,1-3H3
InChIKeyZZLAPQNLMWDFOI-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.47
Rot. Bonds10

About 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol (PubChem CID 106989617) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
PubChem CID106989617
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNC(C)CN1CCCC1
InChIInChI=1S/C14H30N2O3/c1-12(9-16-6-4-5-7-16)15-8-14(17)11-19-13(2)10-18-3/h12-15,17H,4-11H2,1-3H3
InChIKeyZZLAPQNLMWDFOI-UHFFFAOYSA-N
XLogP0.47
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61222081
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 54960254
3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
CID 103247695
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-4-methylazepan-4-ol
CID 107407198
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 104561963
1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-(1-methoxypropan-2-ylamino)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904891
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
CID 106990694

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol (CID 106989617) is 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol is COCC(C)OCC(O)CNC(C)CN1CCCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is ZZLAPQNLMWDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-12(9-16-6-4-5-7-16)15-8-14(17)11-19-13(2)10-18-3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 0.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 106989617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).