N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine

C18H40N2O3Si2 — CID 123525590

IUPACN'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine
SMILESC[SiH](C)C1(C2([SiH2]OCCCCNCCN)CCCCO2)CCCCO1
InChIInChI=1S/C18H40N2O3Si2/c1-25(2)18(10-4-7-15-22-18)17(9-3-6-14-21-17)24-23-16-8-5-12-20-13-11-19/h20,25H,3-16,19,24H2,1-2H3
InChIKeyBJLUIMSHIRSBFQ-UHFFFAOYSA-N
MW388.70 g/mol
LogP1.28
Rot. Bonds11

About N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine

N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine (PubChem CID 123525590) has the molecular formula C18H40N2O3Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine
PubChem CID123525590
Molecular FormulaC18H40N2O3Si2
Molecular Weight388.70 g/mol
Exact Mass388.26
IUPAC NameN'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine
SMILESC[SiH](C)C1(C2([SiH2]OCCCCNCCN)CCCCO2)CCCCO1
InChIInChI=1S/C18H40N2O3Si2/c1-25(2)18(10-4-7-15-22-18)17(9-3-6-14-21-17)24-23-16-8-5-12-20-13-11-19/h20,25H,3-16,19,24H2,1-2H3
InChIKeyBJLUIMSHIRSBFQ-UHFFFAOYSA-N
XLogP1.28
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-dimethylsilyloxan-2-yl)oxan-2-yl]-methylsilyl]butan-1-amine
CID 173419870
hydron;methyl-[2-(2-methylsilyloxan-2-yl)oxan-2-yl]-octylsilane
CID 174990837
N'-(2-dimethylsilyloxan-2-yl)-N-(3-dimethylsilylpropyl)ethane-1,2-diamine
CID 123306168
dimethyl-[2-(2-silyloxan-2-yl)oxan-2-yl]silane;hydron
CID 175096926
N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine
CID 175607511
cyclopropane;N'-propylethane-1,2-diamine
CID 175530712
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,3,2-dioxaphosphonan-2-ium 2-oxide
CID 159816078
1-(2-dimethylsilyloxan-2-yl)propane-1-thiol
CID 173222317
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
3-[[2-[[2-[2-[ethenyl(methyl)silyl]oxan-2-yl]oxan-2-yl]-dimethylsilyl]oxan-2-yl]-methylsilyl]propan-1-amine
CID 173351569
2-(2-dimethoxysilyloxan-2-yl)ethanamine
CID 175137112
N'-[4-[dimethoxy(trimethoxysilyl)silyl]oxybutyl]ethane-1,2-diamine
CID 151278639

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine (CID 123525590) is N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine is C[SiH](C)C1(C2([SiH2]OCCCCNCCN)CCCCO2)CCCCO1.
What is the InChIKey of N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine?
The InChIKey is BJLUIMSHIRSBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O3Si2/c1-25(2)18(10-4-7-15-22-18)17(9-3-6-14-21-17)24-23-16-8-5-12-20-13-11-19/h20,25H,3-16,19,24H2,1-2H3.
What are the key properties of N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine?
N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine has a molecular weight of 388.70 g/mol, XLogP of 1.28, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-(2-dimethylsilyloxan-2-yl)oxan-2-yl]silyloxybutyl]ethane-1,2-diamine is sourced from PubChem (CID 123525590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).