N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine

C9H26N2O4Si3 — CID 174098906

IUPACN'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine
SMILESC[Si]1(C)O[Si](C)(C)O[Si](O)(CCCNCCN)O1
InChIInChI=1S/C9H26N2O4Si3/c1-16(2)13-17(3,4)15-18(12,14-16)9-5-7-11-8-6-10/h11-12H,5-10H2,1-4H3
InChIKeyXOYTZFFGUSZBFQ-UHFFFAOYSA-N
MW310.58 g/mol
LogP0.32
Rot. Bonds6

About N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine

N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine (PubChem CID 174098906) has the molecular formula C9H26N2O4Si3 and a molecular weight of 310.58 g/mol. Its IUPAC name is N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine
PubChem CID174098906
Molecular FormulaC9H26N2O4Si3
Molecular Weight310.58 g/mol
Exact Mass310.12
IUPAC NameN'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine
SMILESC[Si]1(C)O[Si](C)(C)O[Si](O)(CCCNCCN)O1
InChIInChI=1S/C9H26N2O4Si3/c1-16(2)13-17(3,4)15-18(12,14-16)9-5-7-11-8-6-10/h11-12H,5-10H2,1-4H3
InChIKeyXOYTZFFGUSZBFQ-UHFFFAOYSA-N
XLogP0.32
TPSA85.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine
CID 20511037
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
3-(2-aminoethylamino)propyl-λ2-stannane
CID 174568709
potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine
CID 134692490
4-(2-aminoethylamino)butane-1,1-diol
CID 87239429
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-henicosylethane-1,2-diamine
CID 22930907

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine (CID 174098906) is N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine is C[Si]1(C)O[Si](C)(C)O[Si](O)(CCCNCCN)O1.
What is the InChIKey of N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine?
The InChIKey is XOYTZFFGUSZBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H26N2O4Si3/c1-16(2)13-17(3,4)15-18(12,14-16)9-5-7-11-8-6-10/h11-12H,5-10H2,1-4H3.
What are the key properties of N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine?
N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine has a molecular weight of 310.58 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 174098906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).