2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine

C14H38N6O2Si3 — CID 147437476

IUPAC2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine
SMILESC[Si](C)(CCCN=C(N)N)O[Si](C)(C)O[Si](C)(C)CCCN=C(N)N
InChIInChI=1S/C14H38N6O2Si3/c1-23(2,11-7-9-19-13(15)16)21-25(5,6)22-24(3,4)12-8-10-20-14(17)18/h7-12H2,1-6H3,(H4,15,16,19)(H4,17,18,20)
InChIKeyDVOJSZBYFQGGOU-UHFFFAOYSA-N
MW406.76 g/mol
LogP1.46
Rot. Bonds12

About 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine

2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine (PubChem CID 147437476) has the molecular formula C14H38N6O2Si3 and a molecular weight of 406.76 g/mol. Its IUPAC name is 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine
PubChem CID147437476
Molecular FormulaC14H38N6O2Si3
Molecular Weight406.76 g/mol
Exact Mass406.24
IUPAC Name2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine
SMILESC[Si](C)(CCCN=C(N)N)O[Si](C)(C)O[Si](C)(C)CCCN=C(N)N
InChIInChI=1S/C14H38N6O2Si3/c1-23(2,11-7-9-19-13(15)16)21-25(5,6)22-24(3,4)12-8-10-20-14(17)18/h7-12H2,1-6H3,(H4,15,16,19)(H4,17,18,20)
InChIKeyDVOJSZBYFQGGOU-UHFFFAOYSA-N
XLogP1.46
TPSA147.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.76
LogP ≤ 51.46
H-Bond Donors ≤ 54
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

3-[[[[[[3-hydroxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-ol
CID 90989800
N-[3-[methoxy(dimethyl)silyl]propyl]propan-2-imine
CID 87583755
8-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]octan-1-ol
CID 20732733
bis[[4,4-dimethylpentyl(dimethyl)silyl]oxy]-dimethylsilane
CID 164822475
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
N-[3-[[[3-acetamidopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]acetamide
CID 153418128
4-[3-[[[[[3-(4-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol
CID 23368907
4-[[[[[[[[[[[[[[[[[[[[[[[[[4-ethenoxycarbonyloxybutyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butyl ethenyl carbonate
CID 91076405
N-[3-[methoxy(dimethyl)silyl]propyl]butan-2-imine
CID 87583727
N'-[3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]ethane-1,2-diamine
CID 59096415
[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-dimethylsilane
CID 150264689
tetrakis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl]phosphanium
CID 88887480

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine?
The IUPAC name of 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine (CID 147437476) is 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine.
What is the SMILES notation for 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine?
The canonical SMILES for 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine is C[Si](C)(CCCN=C(N)N)O[Si](C)(C)O[Si](C)(C)CCCN=C(N)N.
What is the InChIKey of 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine?
The InChIKey is DVOJSZBYFQGGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H38N6O2Si3/c1-23(2,11-7-9-19-13(15)16)21-25(5,6)22-24(3,4)12-8-10-20-14(17)18/h7-12H2,1-6H3,(H4,15,16,19)(H4,17,18,20).
What are the key properties of 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine?
2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine has a molecular weight of 406.76 g/mol, XLogP of 1.46, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine is sourced from PubChem (CID 147437476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).