hexane-1,1-diamine;trimethoxy(propyl)silane

C12H32N2O3Si — CID 175401211

IUPAChexane-1,1-diamine;trimethoxy(propyl)silane
SMILESCCCCCC(N)N.CCC[Si](OC)(OC)OC
InChIInChI=1S/C6H16N2.C6H16O3Si/c1-2-3-4-5-6(7)8;1-5-6-10(7-2,8-3)9-4/h6H,2-5,7-8H2,1H3;5-6H2,1-4H3
InChIKeyAHWPYMQIUCQURN-UHFFFAOYSA-N
MW280.49 g/mol
LogP2.08
Rot. Bonds9

About hexane-1,1-diamine;trimethoxy(propyl)silane

hexane-1,1-diamine;trimethoxy(propyl)silane (PubChem CID 175401211) has the molecular formula C12H32N2O3Si and a molecular weight of 280.49 g/mol. Its IUPAC name is hexane-1,1-diamine;trimethoxy(propyl)silane.

Molecular Properties

Compound Namehexane-1,1-diamine;trimethoxy(propyl)silane
PubChem CID175401211
Molecular FormulaC12H32N2O3Si
Molecular Weight280.49 g/mol
Exact Mass280.22
IUPAC Namehexane-1,1-diamine;trimethoxy(propyl)silane
SMILESCCCCCC(N)N.CCC[Si](OC)(OC)OC
InChIInChI=1S/C6H16N2.C6H16O3Si/c1-2-3-4-5-6(7)8;1-5-6-10(7-2,8-3)9-4/h6H,2-5,7-8H2,1H3;5-6H2,1-4H3
InChIKeyAHWPYMQIUCQURN-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

hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
hexane-1,1-diamine;hydrobromide
CID 141245501
hexacosane-1,1-diamine
CID 137375175
hexatriacontane-1,1-diamine
CID 21495844
3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine
CID 163213327
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
tributyl(2-trimethoxysilylethyl)phosphanium
CID 174979250
azane;bis(trimethoxy(propyl)silane)
CID 87892957
trimethoxy(4-methylicosyl)silane
CID 88743380
1-trimethoxysilylhenicos-12-en-4-amine
CID 91011586
2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
CID 173031291
4-chlorohenicosyl(trimethoxy)silane
CID 141333665

Frequently Asked Questions

What is the IUPAC name of hexane-1,1-diamine;trimethoxy(propyl)silane?
The IUPAC name of hexane-1,1-diamine;trimethoxy(propyl)silane (CID 175401211) is hexane-1,1-diamine;trimethoxy(propyl)silane.
What is the SMILES notation for hexane-1,1-diamine;trimethoxy(propyl)silane?
The canonical SMILES for hexane-1,1-diamine;trimethoxy(propyl)silane is CCCCCC(N)N.CCC[Si](OC)(OC)OC.
What is the InChIKey of hexane-1,1-diamine;trimethoxy(propyl)silane?
The InChIKey is AHWPYMQIUCQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C6H16O3Si/c1-2-3-4-5-6(7)8;1-5-6-10(7-2,8-3)9-4/h6H,2-5,7-8H2,1H3;5-6H2,1-4H3.
What are the key properties of hexane-1,1-diamine;trimethoxy(propyl)silane?
hexane-1,1-diamine;trimethoxy(propyl)silane 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-1,1-diamine;trimethoxy(propyl)silane is sourced from PubChem (CID 175401211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).