2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine

C14H33N3O3Si — CID 175426003

IUPAC2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine
SMILESCCO[Si](OCC)(OCC)C(C)(C)C(C)(C)CN=C(N)N
InChIInChI=1S/C14H33N3O3Si/c1-8-18-21(19-9-2,20-10-3)14(6,7)13(4,5)11-17-12(15)16/h8-11H2,1-7H3,(H4,15,16,17)
InChIKeyWVCVOGYROGFFBE-UHFFFAOYSA-N
MW319.52 g/mol
LogP2.11
Rot. Bonds10

About 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine

2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine (PubChem CID 175426003) has the molecular formula C14H33N3O3Si and a molecular weight of 319.52 g/mol. Its IUPAC name is 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine.

Molecular Properties

Compound Name2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine
PubChem CID175426003
Molecular FormulaC14H33N3O3Si
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC Name2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine
SMILESCCO[Si](OCC)(OCC)C(C)(C)C(C)(C)CN=C(N)N
InChIInChI=1S/C14H33N3O3Si/c1-8-18-21(19-9-2,20-10-3)14(6,7)13(4,5)11-17-12(15)16/h8-11H2,1-7H3,(H4,15,16,17)
InChIKeyWVCVOGYROGFFBE-UHFFFAOYSA-N
XLogP2.11
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-(2-ethoxy-2-methylpropyl)guanidine
CID 114942747
triethoxy(2,3,3-trimethylbutan-2-yl)silane
CID 18000011
triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
2-(2-hydroxy-2-methylpentyl)guanidine
CID 103661011
N'-(2-ethoxy-2-methylpropyl)ethanimidamide
CID 114944274
(3-methyl-3-triethoxysilylbutyl)phosphane
CID 174985696
2-(4-hydroxy-2,2-dimethylbutyl)guanidine
CID 103711694
3-methyl-2-triethoxysilylbutan-2-amine
CID 174653209
N-[(tert-butylamino)-diethoxysilyl]-2-methylpropan-2-amine
CID 23279122
triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 23523578
1,1-diethoxyethyl(triethoxy)silane
CID 175450759
tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane
CID 139722194

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine?
The IUPAC name of 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine (CID 175426003) is 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine.
What is the SMILES notation for 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine?
The canonical SMILES for 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine is CCO[Si](OCC)(OCC)C(C)(C)C(C)(C)CN=C(N)N.
What is the InChIKey of 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine?
The InChIKey is WVCVOGYROGFFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O3Si/c1-8-18-21(19-9-2,20-10-3)14(6,7)13(4,5)11-17-12(15)16/h8-11H2,1-7H3,(H4,15,16,17).
What are the key properties of 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine?
2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine has a molecular weight of 319.52 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethyl-3-triethoxysilylbutyl)guanidine is sourced from PubChem (CID 175426003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).