3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol

C13H31N3O6 — CID 89396769

IUPAC3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol
SMILESOCC(O)CNCCN(CCNCC(O)CO)CC(O)CO
InChIInChI=1S/C13H31N3O6/c17-8-11(20)5-14-1-3-16(7-13(22)10-19)4-2-15-6-12(21)9-18/h11-15,17-22H,1-10H2
InChIKeyUZNCJDFFMOZQJU-UHFFFAOYSA-N
MW325.41 g/mol
LogP-4.47
Rot. Bonds15

About 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol

3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol (PubChem CID 89396769) has the molecular formula C13H31N3O6 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol
PubChem CID89396769
Molecular FormulaC13H31N3O6
Molecular Weight325.41 g/mol
Exact Mass325.22
IUPAC Name3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol
SMILESOCC(O)CNCCN(CCNCC(O)CO)CC(O)CO
InChIInChI=1S/C13H31N3O6/c17-8-11(20)5-14-1-3-16(7-13(22)10-19)4-2-15-6-12(21)9-18/h11-15,17-22H,1-10H2
InChIKeyUZNCJDFFMOZQJU-UHFFFAOYSA-N
XLogP-4.47
TPSA148.68 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 5-4.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[bis(2,3-dihydroxypropyl)amino]ethyl-(2,3-dihydroxypropyl)amino]ethyl-bis(2,3-dihydroxypropyl)-[2-(2,3-dihydroxypropylamino)ethyl]azanium
CID 87640620
3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 76891683
(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 62641406
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
(2R)-3-(2-chloroethylamino)propane-1,2-diol
CID 125498266
(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
3-(but-3-enylamino)propane-1,2-diol
CID 66175706
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
2-(2,3-dihydroxypropylamino)ethanesulfonic acid
CID 20545750
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol?
The IUPAC name of 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol (CID 89396769) is 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol is OCC(O)CNCCN(CCNCC(O)CO)CC(O)CO.
What is the InChIKey of 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol?
The InChIKey is UZNCJDFFMOZQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O6/c17-8-11(20)5-14-1-3-16(7-13(22)10-19)4-2-15-6-12(21)9-18/h11-15,17-22H,1-10H2.
What are the key properties of 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol?
3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol has a molecular weight of 325.41 g/mol, XLogP of -4.47, 15 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol is sourced from PubChem (CID 89396769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).