4-triethoxysilylheptane-1,4-diamine

C13H32N2O3Si — CID 91551145

IUPAC4-triethoxysilylheptane-1,4-diamine
SMILESCCCC(N)(CCCN)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H32N2O3Si/c1-5-10-13(15,11-9-12-14)19(16-6-2,17-7-3)18-8-4/h5-12,14-15H2,1-4H3
InChIKeyYTJMNXRLRBSXMV-UHFFFAOYSA-N
MW292.50 g/mol
LogP1.81
Rot. Bonds12

About 4-triethoxysilylheptane-1,4-diamine

4-triethoxysilylheptane-1,4-diamine (PubChem CID 91551145) has the molecular formula C13H32N2O3Si and a molecular weight of 292.50 g/mol. Its IUPAC name is 4-triethoxysilylheptane-1,4-diamine.

Molecular Properties

Compound Name4-triethoxysilylheptane-1,4-diamine
PubChem CID91551145
Molecular FormulaC13H32N2O3Si
Molecular Weight292.50 g/mol
Exact Mass292.22
IUPAC Name4-triethoxysilylheptane-1,4-diamine
SMILESCCCC(N)(CCCN)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H32N2O3Si/c1-5-10-13(15,11-9-12-14)19(16-6-2,17-7-3)18-8-4/h5-12,14-15H2,1-4H3
InChIKeyYTJMNXRLRBSXMV-UHFFFAOYSA-N
XLogP1.81
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-trimethoxysilylhexane-1,4-diamine
CID 57134999
4-trimethoxysilylhenicosan-4-amine;hydrochloride
CID 174053760
3-[ethoxy(dipropyl)silyl]propan-1-amine
CID 140743958
3-ethyl-3-triethoxysilylpentan-1-amine
CID 23083469
triethoxy(3-ethylhexan-3-yl)silane
CID 175030722
butyl(triethoxy)silane;tert-butyl(triethoxy)silane
CID 175188929
ethane-1,2-diamine;triethoxy(methyl)silane
CID 158658037
triethoxy(2-methylnonan-2-yl)silane
CID 18999451
4-[diethoxy(propyl)silyl]butan-1-amine
CID 139765357
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
6-[6-aminohexyl(diethoxy)silyl]hexan-1-amine
CID 139707876
3-(3-aminopropyl-ethoxy-methylsilyl)propan-1-amine
CID 87400628

Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylheptane-1,4-diamine?
The IUPAC name of 4-triethoxysilylheptane-1,4-diamine (CID 91551145) is 4-triethoxysilylheptane-1,4-diamine.
What is the SMILES notation for 4-triethoxysilylheptane-1,4-diamine?
The canonical SMILES for 4-triethoxysilylheptane-1,4-diamine is CCCC(N)(CCCN)[Si](OCC)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylheptane-1,4-diamine?
The InChIKey is YTJMNXRLRBSXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N2O3Si/c1-5-10-13(15,11-9-12-14)19(16-6-2,17-7-3)18-8-4/h5-12,14-15H2,1-4H3.
What are the key properties of 4-triethoxysilylheptane-1,4-diamine?
4-triethoxysilylheptane-1,4-diamine has a molecular weight of 292.50 g/mol, XLogP of 1.81, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylheptane-1,4-diamine is sourced from PubChem (CID 91551145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).