2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine

C16H39N3O2Si2 — CID 59428058

IUPAC2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine
SMILESCC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)N=C(N)N
InChIInChI=1S/C16H39N3O2Si2/c1-15(2,3)22(7,8)20-11-13(19-14(17)18)12-21-23(9,10)16(4,5)6/h13H,11-12H2,1-10H3,(H4,17,18,19)
InChIKeySEXVMKZMZMYXCM-UHFFFAOYSA-N
MW361.68 g/mol
LogP3.67
Rot. Bonds7

About 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine

2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine (PubChem CID 59428058) has the molecular formula C16H39N3O2Si2 and a molecular weight of 361.68 g/mol. Its IUPAC name is 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine.

Molecular Properties

Compound Name2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine
PubChem CID59428058
Molecular FormulaC16H39N3O2Si2
Molecular Weight361.68 g/mol
Exact Mass361.26
IUPAC Name2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine
SMILESCC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)N=C(N)N
InChIInChI=1S/C16H39N3O2Si2/c1-15(2,3)22(7,8)20-11-13(19-14(17)18)12-21-23(9,10)16(4,5)6/h13H,11-12H2,1-10H3,(H4,17,18,19)
InChIKeySEXVMKZMZMYXCM-UHFFFAOYSA-N
XLogP3.67
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.68
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,3-diamine
CID 87682388
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine?
The IUPAC name of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine (CID 59428058) is 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine.
What is the SMILES notation for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine?
The canonical SMILES for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine is CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)N=C(N)N.
What is the InChIKey of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine?
The InChIKey is SEXVMKZMZMYXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39N3O2Si2/c1-15(2,3)22(7,8)20-11-13(19-14(17)18)12-21-23(9,10)16(4,5)6/h13H,11-12H2,1-10H3,(H4,17,18,19).
What are the key properties of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine?
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine has a molecular weight of 361.68 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]guanidine is sourced from PubChem (CID 59428058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).