1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine

C8H21N3O3Si — CID 135038431

IUPAC1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine
SMILESCN(C)C(=NCCC[Si](O)(O)O)N(C)C
InChIInChI=1S/C8H21N3O3Si/c1-10(2)8(11(3)4)9-6-5-7-15(12,13)14/h12-14H,5-7H2,1-4H3
InChIKeyYMFVISSYGOPFLE-UHFFFAOYSA-N
MW235.36 g/mol
LogP-1.23
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine

1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine (PubChem CID 135038431) has the molecular formula C8H21N3O3Si and a molecular weight of 235.36 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine
PubChem CID135038431
Molecular FormulaC8H21N3O3Si
Molecular Weight235.36 g/mol
Exact Mass235.14
IUPAC Name1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine
SMILESCN(C)C(=NCCC[Si](O)(O)O)N(C)C
InChIInChI=1S/C8H21N3O3Si/c1-10(2)8(11(3)4)9-6-5-7-15(12,13)14/h12-14H,5-7H2,1-4H3
InChIKeyYMFVISSYGOPFLE-UHFFFAOYSA-N
XLogP-1.23
TPSA79.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111025375
1,1,3,3-tetramethyl-2-(5-methylhexyl)guanidine
CID 111813185
2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine
CID 90350369
[diacetyloxy-[3-[[diethylamino(dimethylamino)methylidene]amino]propyl]silyl] acetate
CID 71342432
1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 100673310
copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide
CID 169422766
2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111095275
2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111062815
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111066394
methyl 7-[bis(dimethylamino)methylideneamino]heptanoate;hydroiodide
CID 111040562

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine (CID 135038431) is 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine is CN(C)C(=NCCC[Si](O)(O)O)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine?
The InChIKey is YMFVISSYGOPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O3Si/c1-10(2)8(11(3)4)9-6-5-7-15(12,13)14/h12-14H,5-7H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine?
1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine has a molecular weight of 235.36 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine is sourced from PubChem (CID 135038431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).