1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol

C24H51NO8 — CID 89205374

IUPAC1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
SMILESCC(O)COCCCCCCOCC(O)CNCC(O)COCCCCCCOCC(C)O
InChIInChI=1S/C24H51NO8/c1-21(26)17-30-11-7-3-5-9-13-32-19-23(28)15-25-16-24(29)20-33-14-10-6-4-8-12-31-18-22(2)27/h21-29H,3-20H2,1-2H3
InChIKeyVTGDPZNAXJRMNO-UHFFFAOYSA-N
MW481.67 g/mol
LogP1.25
Rot. Bonds26

About 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol

1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol (PubChem CID 89205374) has the molecular formula C24H51NO8 and a molecular weight of 481.67 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
PubChem CID89205374
Molecular FormulaC24H51NO8
Molecular Weight481.67 g/mol
Exact Mass481.36
IUPAC Name1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
SMILESCC(O)COCCCCCCOCC(O)CNCC(O)COCCCCCCOCC(C)O
InChIInChI=1S/C24H51NO8/c1-21(26)17-30-11-7-3-5-9-13-32-19-23(28)15-25-16-24(29)20-33-14-10-6-4-8-12-31-18-22(2)27/h21-29H,3-20H2,1-2H3
InChIKeyVTGDPZNAXJRMNO-UHFFFAOYSA-N
XLogP1.25
TPSA129.87 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412169
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
(2S)-1-octoxypropan-2-ol
CID 55250295
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
1-tridecoxypropan-2-ol
CID 19798268
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol (CID 89205374) is 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol is CC(O)COCCCCCCOCC(O)CNCC(O)COCCCCCCOCC(C)O.
What is the InChIKey of 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol?
The InChIKey is VTGDPZNAXJRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO8/c1-21(26)17-30-11-7-3-5-9-13-32-19-23(28)15-25-16-24(29)20-33-14-10-6-4-8-12-31-18-22(2)27/h21-29H,3-20H2,1-2H3.
What are the key properties of 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol?
1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol has a molecular weight of 481.67 g/mol, XLogP of 1.25, 26 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol is sourced from PubChem (CID 89205374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).