N'-(6-trimethoxysilylhexyl)propane-1,3-diamine

C12H30N2O3Si — CID 54277347

IUPACN'-(6-trimethoxysilylhexyl)propane-1,3-diamine
SMILESCO[Si](CCCCCCNCCCN)(OC)OC
InChIInChI=1S/C12H30N2O3Si/c1-15-18(16-2,17-3)12-7-5-4-6-10-14-11-8-9-13/h14H,4-13H2,1-3H3
InChIKeyROIBBWUTMWFUTG-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.36
Rot. Bonds13

About N'-(6-trimethoxysilylhexyl)propane-1,3-diamine

N'-(6-trimethoxysilylhexyl)propane-1,3-diamine (PubChem CID 54277347) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is N'-(6-trimethoxysilylhexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-trimethoxysilylhexyl)propane-1,3-diamine
PubChem CID54277347
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC NameN'-(6-trimethoxysilylhexyl)propane-1,3-diamine
SMILESCO[Si](CCCCCCNCCCN)(OC)OC
InChIInChI=1S/C12H30N2O3Si/c1-15-18(16-2,17-3)12-7-5-4-6-10-14-11-8-9-13/h14H,4-13H2,1-3H3
InChIKeyROIBBWUTMWFUTG-UHFFFAOYSA-N
XLogP1.36
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.36
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

N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
N-[3-[dimethoxy(methyl)silyl]propyl]-6-trimethoxysilylhexan-1-amine
CID 175874153
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N'-[3-[hydroxy(dimethoxy)silyl]propyl]hexane-1,6-diamine
CID 89177405
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine
CID 87376652
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550

Frequently Asked Questions

What is the IUPAC name of N'-(6-trimethoxysilylhexyl)propane-1,3-diamine?
The IUPAC name of N'-(6-trimethoxysilylhexyl)propane-1,3-diamine (CID 54277347) is N'-(6-trimethoxysilylhexyl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-trimethoxysilylhexyl)propane-1,3-diamine?
The canonical SMILES for N'-(6-trimethoxysilylhexyl)propane-1,3-diamine is CO[Si](CCCCCCNCCCN)(OC)OC.
What is the InChIKey of N'-(6-trimethoxysilylhexyl)propane-1,3-diamine?
The InChIKey is ROIBBWUTMWFUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O3Si/c1-15-18(16-2,17-3)12-7-5-4-6-10-14-11-8-9-13/h14H,4-13H2,1-3H3.
What are the key properties of N'-(6-trimethoxysilylhexyl)propane-1,3-diamine?
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine has a molecular weight of 278.47 g/mol, XLogP of 1.36, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-trimethoxysilylhexyl)propane-1,3-diamine is sourced from PubChem (CID 54277347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).