1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol

C15H34N2O2 — CID 102995834

IUPAC1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCCN(CC)CCCN(CC)CC(O)COC(C)C
InChIInChI=1S/C15H34N2O2/c1-6-16(7-2)10-9-11-17(8-3)12-15(18)13-19-14(4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyUECOHQXBZBDJIT-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.83
Rot. Bonds12

About 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol

1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 102995834) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID102995834
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCCN(CC)CCCN(CC)CC(O)COC(C)C
InChIInChI=1S/C15H34N2O2/c1-6-16(7-2)10-9-11-17(8-3)12-15(18)13-19-14(4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyUECOHQXBZBDJIT-UHFFFAOYSA-N
XLogP1.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 115666449
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60752269
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95357959
1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol
CID 90250564
1-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 61059447
methyl 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63987192
1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol
CID 90049051

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol (CID 102995834) is 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol is CCN(CC)CCCN(CC)CC(O)COC(C)C.
What is the InChIKey of 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is UECOHQXBZBDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-6-16(7-2)10-9-11-17(8-3)12-15(18)13-19-14(4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol?
1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 274.45 g/mol, XLogP of 1.83, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 102995834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).