N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine

C20H48N2O6Si2 — CID 87274302

IUPACN',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCO[Si](OCC)(OCC)C(CC)N(CCN)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H48N2O6Si2/c1-9-19(29(23-11-3,24-12-4)25-13-5)22(18-17-21)20(10-2)30(26-14-6,27-15-7)28-16-8/h19-20H,9-18,21H2,1-8H3
InChIKeyOSRDTZJKNNUMRG-UHFFFAOYSA-N
MW468.78 g/mol
LogP2.98
Rot. Bonds20

About N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine

N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 87274302) has the molecular formula C20H48N2O6Si2 and a molecular weight of 468.78 g/mol. Its IUPAC name is N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine
PubChem CID87274302
Molecular FormulaC20H48N2O6Si2
Molecular Weight468.78 g/mol
Exact Mass468.31
IUPAC NameN',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCO[Si](OCC)(OCC)C(CC)N(CCN)C(CC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H48N2O6Si2/c1-9-19(29(23-11-3,24-12-4)25-13-5)22(18-17-21)20(10-2)30(26-14-6,27-15-7)28-16-8/h19-20H,9-18,21H2,1-8H3
InChIKeyOSRDTZJKNNUMRG-UHFFFAOYSA-N
XLogP2.98
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride
CID 173045206
2-triethoxysilylbutane-1,4-diamine
CID 89315608
4-methyl-1-triethoxysilylhexan-1-amine
CID 175249037
N,N-dimethyl-2-triethoxysilylpropan-1-amine
CID 23051840
acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine
CID 174272810
1-[2-aminoethyl(methyl)amino]butan-2-ol
CID 62687204
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
ethane-1,2-diamine;triethoxy(methyl)silane
CID 158658037
N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine
CID 22359732
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
N-(2-triethoxysilylpropyl)ethanimine
CID 141202089
1-[diethoxy(trimethylsilyloxy)silyl]propan-1-amine
CID 88595830

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine (CID 87274302) is N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine is CCO[Si](OCC)(OCC)C(CC)N(CCN)C(CC)[Si](OCC)(OCC)OCC.
What is the InChIKey of N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is OSRDTZJKNNUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48N2O6Si2/c1-9-19(29(23-11-3,24-12-4)25-13-5)22(18-17-21)20(10-2)30(26-14-6,27-15-7)28-16-8/h19-20H,9-18,21H2,1-8H3.
What are the key properties of N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine?
N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 468.78 g/mol, XLogP of 2.98, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 87274302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).