1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol

C9H23NO6Si — CID 58412169

IUPAC1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol
SMILESCC(O)CNCC(O)COCCC[Si](O)(O)O
InChIInChI=1S/C9H23NO6Si/c1-8(11)5-10-6-9(12)7-16-3-2-4-17(13,14)15/h8-15H,2-7H2,1H3
InChIKeyJVXNEVFTRSJZQB-UHFFFAOYSA-N
MW269.37 g/mol
LogP-2.36
Rot. Bonds10

About 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol

1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol (PubChem CID 58412169) has the molecular formula C9H23NO6Si and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol
PubChem CID58412169
Molecular FormulaC9H23NO6Si
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol
SMILESCC(O)CNCC(O)COCCC[Si](O)(O)O
InChIInChI=1S/C9H23NO6Si/c1-8(11)5-10-6-9(12)7-16-3-2-4-17(13,14)15/h8-15H,2-7H2,1H3
InChIKeyJVXNEVFTRSJZQB-UHFFFAOYSA-N
XLogP-2.36
TPSA122.41 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.37
LogP ≤ 5-2.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
CID 89205374
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
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
1-butoxy-3-(prop-2-enylamino)propan-2-ol
CID 107262418
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-[3-[hydroxy(dimethoxy)silyl]propoxy]-3-(4-methylheptan-2-ylamino)propan-2-ol
CID 59264326
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]ethyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethylamino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 88535995
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 113226892
1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412214

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol?
The IUPAC name of 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol (CID 58412169) is 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol?
The canonical SMILES for 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol is CC(O)CNCC(O)COCCC[Si](O)(O)O.
What is the InChIKey of 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol?
The InChIKey is JVXNEVFTRSJZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO6Si/c1-8(11)5-10-6-9(12)7-16-3-2-4-17(13,14)15/h8-15H,2-7H2,1H3.
What are the key properties of 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol?
1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol has a molecular weight of 269.37 g/mol, XLogP of -2.36, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol is sourced from PubChem (CID 58412169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).