3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine

C15H40N2O6Si2 — CID 22218761

IUPAC3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CO[Si](CCCN)(OC)OC
InChIInChI=1S/C9H23NO3Si.C6H17NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7/h4-10H2,1-3H3;4-7H2,1-3H3
InChIKeyNPJQAOLQNZOWHI-UHFFFAOYSA-N
MW400.67 g/mol
LogP1.60
Rot. Bonds15

About 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine

3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine (PubChem CID 22218761) has the molecular formula C15H40N2O6Si2 and a molecular weight of 400.67 g/mol. Its IUPAC name is 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
PubChem CID22218761
Molecular FormulaC15H40N2O6Si2
Molecular Weight400.67 g/mol
Exact Mass400.24
IUPAC Name3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CO[Si](CCCN)(OC)OC
InChIInChI=1S/C9H23NO3Si.C6H17NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7/h4-10H2,1-3H3;4-7H2,1-3H3
InChIKeyNPJQAOLQNZOWHI-UHFFFAOYSA-N
XLogP1.60
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 13521
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CID 18511
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CID 6337496
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CID 204224
CID 204224
CID 3015877
CID 3015877
CID 169214
CID 169214
CID 9837398
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CID 9920523
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CID 23084950
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CID 11709287
CID 11709287
CID 14818459
CID 14818459

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The IUPAC name of 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine (CID 22218761) is 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The canonical SMILES for 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine is CCO[Si](CCCN)(OCC)OCC.CO[Si](CCCN)(OC)OC.
What is the InChIKey of 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
The InChIKey is NPJQAOLQNZOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3Si.C6H17NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7/h4-10H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine?
3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine has a molecular weight of 400.67 g/mol, XLogP of 1.60, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 22218761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).