3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol

C12H28N2O2 — CID 102995838

IUPAC3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
SMILESCCN(CC)CCCN(CC)CC(O)CO
InChIInChI=1S/C12H28N2O2/c1-4-13(5-2)8-7-9-14(6-3)10-12(16)11-15/h12,15-16H,4-11H2,1-3H3
InChIKeyKUEQLWVFHTWJOB-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.39
Rot. Bonds10

About 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol

3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol (PubChem CID 102995838) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
PubChem CID102995838
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
SMILESCCN(CC)CCCN(CC)CC(O)CO
InChIInChI=1S/C12H28N2O2/c1-4-13(5-2)8-7-9-14(6-3)10-12(16)11-15/h12,15-16H,4-11H2,1-3H3
InChIKeyKUEQLWVFHTWJOB-UHFFFAOYSA-N
XLogP0.39
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807
6-(diethylamino)hexane-1,2-diol
CID 18995566
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
CID 102995834
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol
CID 59110283
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005
3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
CID 76891494
3-[2,3-dihydroxypropyl-[(E)-undec-4-enyl]amino]propane-1,2-diol
CID 101275334
1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 115666449
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol
CID 102996311

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol?
The IUPAC name of 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol (CID 102995838) is 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol is CCN(CC)CCCN(CC)CC(O)CO.
What is the InChIKey of 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol?
The InChIKey is KUEQLWVFHTWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-4-13(5-2)8-7-9-14(6-3)10-12(16)11-15/h12,15-16H,4-11H2,1-3H3.
What are the key properties of 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol?
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol has a molecular weight of 232.37 g/mol, XLogP of 0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol is sourced from PubChem (CID 102995838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).