N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine

C12H31N3O3Si — CID 87376652

IUPACN'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine
SMILESCO[Si](NCCCNCCCCCCN)(OC)OC
InChIInChI=1S/C12H31N3O3Si/c1-16-19(17-2,18-3)15-12-8-11-14-10-7-5-4-6-9-13/h14-15H,4-13H2,1-3H3
InChIKeyDTKVMDSBCQYZSU-UHFFFAOYSA-N
MW293.48 g/mol
LogP0.45
Rot. Bonds14

About N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine

N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine (PubChem CID 87376652) has the molecular formula C12H31N3O3Si and a molecular weight of 293.48 g/mol. Its IUPAC name is N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine
PubChem CID87376652
Molecular FormulaC12H31N3O3Si
Molecular Weight293.48 g/mol
Exact Mass293.21
IUPAC NameN'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine
SMILESCO[Si](NCCCNCCCCCCN)(OC)OC
InChIInChI=1S/C12H31N3O3Si/c1-16-19(17-2,18-3)15-12-8-11-14-10-7-5-4-6-9-13/h14-15H,4-13H2,1-3H3
InChIKeyDTKVMDSBCQYZSU-UHFFFAOYSA-N
XLogP0.45
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-[3-[hydroxy(dimethoxy)silyl]propyl]hexane-1,6-diamine
CID 89177405
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-dodecylheptane-1,7-diamine
CID 122537296
N'-pentyltridecane-1,13-diamine
CID 174397381
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352

Frequently Asked Questions

What is the IUPAC name of N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine?
The IUPAC name of N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine (CID 87376652) is N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine?
The canonical SMILES for N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine is CO[Si](NCCCNCCCCCCN)(OC)OC.
What is the InChIKey of N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine?
The InChIKey is DTKVMDSBCQYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N3O3Si/c1-16-19(17-2,18-3)15-12-8-11-14-10-7-5-4-6-9-13/h14-15H,4-13H2,1-3H3.
What are the key properties of N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine?
N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine has a molecular weight of 293.48 g/mol, XLogP of 0.45, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine is sourced from PubChem (CID 87376652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).