1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine

C8H22N2O3Si — CID 22341658

IUPAC1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine
SMILESCCC(N)NC(C)[Si](OC)(OC)OC
InChIInChI=1S/C8H22N2O3Si/c1-6-8(9)10-7(2)14(11-3,12-4)13-5/h7-8,10H,6,9H2,1-5H3
InChIKeyZKSQJCIPERDFIA-UHFFFAOYSA-N
MW222.36 g/mol
LogP0.08
Rot. Bonds7

About 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine

1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine (PubChem CID 22341658) has the molecular formula C8H22N2O3Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine
PubChem CID22341658
Molecular FormulaC8H22N2O3Si
Molecular Weight222.36 g/mol
Exact Mass222.14
IUPAC Name1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine
SMILESCCC(N)NC(C)[Si](OC)(OC)OC
InChIInChI=1S/C8H22N2O3Si/c1-6-8(9)10-7(2)14(11-3,12-4)13-5/h7-8,10H,6,9H2,1-5H3
InChIKeyZKSQJCIPERDFIA-UHFFFAOYSA-N
XLogP0.08
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(1-trimethoxysilylethyl)ethane-1,2-diamine
CID 21267592
1-N'-(1-silylethyl)propane-1,1-diamine
CID 173101185
1-N'-[1-(2-aminopropylamino)ethyl]propane-1,1-diamine
CID 20981244
methyl 2-trimethoxysilylbutanoate
CID 141147304
N-methyl-1-trimethoxysilylpropan-1-amine
CID 19607493
N,N-di(propan-2-yl)-1-trimethoxysilylpropan-1-amine
CID 87407225
cyclopropane;1-trimethoxysilylethanamine
CID 90021188
(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine
CID 99865004
N-[[butan-2-yl(dimethoxy)silyl]oxymethyl]ethanamine
CID 175160121
CID 169430456
CID 169430456
N-[bis(trimethoxysilyl)methyl]ethanamine
CID 174997773
2-methyl-1-trimethoxysilylbutane-1,3-diamine
CID 174876131

Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine?
The IUPAC name of 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine (CID 22341658) is 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine?
The canonical SMILES for 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine is CCC(N)NC(C)[Si](OC)(OC)OC.
What is the InChIKey of 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine?
The InChIKey is ZKSQJCIPERDFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si/c1-6-8(9)10-7(2)14(11-3,12-4)13-5/h7-8,10H,6,9H2,1-5H3.
What are the key properties of 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine?
1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine has a molecular weight of 222.36 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-trimethoxysilylethyl)propane-1,1-diamine is sourced from PubChem (CID 22341658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).