hexane;3-trimethoxysilylpropane-1,1-diamine

C12H32N2O3Si — CID 174757276

IUPAChexane;3-trimethoxysilylpropane-1,1-diamine
SMILESCCCCCC.CO[Si](CCC(N)N)(OC)OC
InChIInChI=1S/C6H18N2O3Si.C6H14/c1-9-12(10-2,11-3)5-4-6(7)8;1-3-5-6-4-2/h6H,4-5,7-8H2,1-3H3;3-6H2,1-2H3
InChIKeyYXCSAMHSAJYLNB-UHFFFAOYSA-N
MW280.49 g/mol
LogP2.08
Rot. Bonds9

About hexane;3-trimethoxysilylpropane-1,1-diamine

hexane;3-trimethoxysilylpropane-1,1-diamine (PubChem CID 174757276) has the molecular formula C12H32N2O3Si and a molecular weight of 280.49 g/mol. Its IUPAC name is hexane;3-trimethoxysilylpropane-1,1-diamine.

Molecular Properties

Compound Namehexane;3-trimethoxysilylpropane-1,1-diamine
PubChem CID174757276
Molecular FormulaC12H32N2O3Si
Molecular Weight280.49 g/mol
Exact Mass280.22
IUPAC Namehexane;3-trimethoxysilylpropane-1,1-diamine
SMILESCCCCCC.CO[Si](CCC(N)N)(OC)OC
InChIInChI=1S/C6H18N2O3Si.C6H14/c1-9-12(10-2,11-3)5-4-6(7)8;1-3-5-6-4-2/h6H,4-5,7-8H2,1-3H3;3-6H2,1-2H3
InChIKeyYXCSAMHSAJYLNB-UHFFFAOYSA-N
XLogP2.08
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 52.08
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine
CID 163213327
hexane-1,1-diamine;trimethoxy(propyl)silane
CID 175401211
tributyl(2-trimethoxysilylethyl)phosphanium
CID 174979250
azane;trimethoxy(pentyl)silane
CID 19608931
1,5-bis(trimethoxysilyl)pentan-3-amine
CID 87668176
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013

Frequently Asked Questions

What is the IUPAC name of hexane;3-trimethoxysilylpropane-1,1-diamine?
The IUPAC name of hexane;3-trimethoxysilylpropane-1,1-diamine (CID 174757276) is hexane;3-trimethoxysilylpropane-1,1-diamine.
What is the SMILES notation for hexane;3-trimethoxysilylpropane-1,1-diamine?
The canonical SMILES for hexane;3-trimethoxysilylpropane-1,1-diamine is CCCCCC.CO[Si](CCC(N)N)(OC)OC.
What is the InChIKey of hexane;3-trimethoxysilylpropane-1,1-diamine?
The InChIKey is YXCSAMHSAJYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N2O3Si.C6H14/c1-9-12(10-2,11-3)5-4-6(7)8;1-3-5-6-4-2/h6H,4-5,7-8H2,1-3H3;3-6H2,1-2H3.
What are the key properties of hexane;3-trimethoxysilylpropane-1,1-diamine?
hexane;3-trimethoxysilylpropane-1,1-diamine has a molecular weight of 280.49 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;3-trimethoxysilylpropane-1,1-diamine is sourced from PubChem (CID 174757276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).