1,5-bis(trimethoxysilyl)pentan-3-amine

C11H29NO6Si2 — CID 87668176

IUPAC1,5-bis(trimethoxysilyl)pentan-3-amine
SMILESCO[Si](CCC(N)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C11H29NO6Si2/c1-13-19(14-2,15-3)9-7-11(12)8-10-20(16-4,17-5)18-6/h11H,7-10,12H2,1-6H3
InChIKeyZYMRSMXUVIKGTJ-UHFFFAOYSA-N
MW327.53 g/mol
LogP0.85
Rot. Bonds12

About 1,5-bis(trimethoxysilyl)pentan-3-amine

1,5-bis(trimethoxysilyl)pentan-3-amine (PubChem CID 87668176) has the molecular formula C11H29NO6Si2 and a molecular weight of 327.53 g/mol. Its IUPAC name is 1,5-bis(trimethoxysilyl)pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(trimethoxysilyl)pentan-3-amine
PubChem CID87668176
Molecular FormulaC11H29NO6Si2
Molecular Weight327.53 g/mol
Exact Mass327.15
IUPAC Name1,5-bis(trimethoxysilyl)pentan-3-amine
SMILESCO[Si](CCC(N)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C11H29NO6Si2/c1-13-19(14-2,15-3)9-7-11(12)8-10-20(16-4,17-5)18-6/h11H,7-10,12H2,1-6H3
InChIKeyZYMRSMXUVIKGTJ-UHFFFAOYSA-N
XLogP0.85
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.53
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(trimethoxysilyl)pentan-3-amine?
The IUPAC name of 1,5-bis(trimethoxysilyl)pentan-3-amine (CID 87668176) is 1,5-bis(trimethoxysilyl)pentan-3-amine.
What is the SMILES notation for 1,5-bis(trimethoxysilyl)pentan-3-amine?
The canonical SMILES for 1,5-bis(trimethoxysilyl)pentan-3-amine is CO[Si](CCC(N)CC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1,5-bis(trimethoxysilyl)pentan-3-amine?
The InChIKey is ZYMRSMXUVIKGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H29NO6Si2/c1-13-19(14-2,15-3)9-7-11(12)8-10-20(16-4,17-5)18-6/h11H,7-10,12H2,1-6H3.
What are the key properties of 1,5-bis(trimethoxysilyl)pentan-3-amine?
1,5-bis(trimethoxysilyl)pentan-3-amine has a molecular weight of 327.53 g/mol, XLogP of 0.85, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(trimethoxysilyl)pentan-3-amine is sourced from PubChem (CID 87668176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).