2-(trimethoxysilylmethyl)propane-1,3-diamine

C7H20N2O3Si — CID 18314288

IUPAC2-(trimethoxysilylmethyl)propane-1,3-diamine
SMILESCO[Si](CC(CN)CN)(OC)OC
InChIInChI=1S/C7H20N2O3Si/c1-10-13(11-2,12-3)6-7(4-8)5-9/h7H,4-6,8-9H2,1-3H3
InChIKeyDUTGJZQZHMMVQK-UHFFFAOYSA-N
MW208.33 g/mol
LogP-0.60
Rot. Bonds7

About 2-(trimethoxysilylmethyl)propane-1,3-diamine

2-(trimethoxysilylmethyl)propane-1,3-diamine (PubChem CID 18314288) has the molecular formula C7H20N2O3Si and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(trimethoxysilylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(trimethoxysilylmethyl)propane-1,3-diamine
PubChem CID18314288
Molecular FormulaC7H20N2O3Si
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name2-(trimethoxysilylmethyl)propane-1,3-diamine
SMILESCO[Si](CC(CN)CN)(OC)OC
InChIInChI=1S/C7H20N2O3Si/c1-10-13(11-2,12-3)6-7(4-8)5-9/h7H,4-6,8-9H2,1-3H3
InChIKeyDUTGJZQZHMMVQK-UHFFFAOYSA-N
XLogP-0.60
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(trimethoxysilylmethyl)propane-1,3-diamine?
The IUPAC name of 2-(trimethoxysilylmethyl)propane-1,3-diamine (CID 18314288) is 2-(trimethoxysilylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-(trimethoxysilylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-(trimethoxysilylmethyl)propane-1,3-diamine is CO[Si](CC(CN)CN)(OC)OC.
What is the InChIKey of 2-(trimethoxysilylmethyl)propane-1,3-diamine?
The InChIKey is DUTGJZQZHMMVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N2O3Si/c1-10-13(11-2,12-3)6-7(4-8)5-9/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(trimethoxysilylmethyl)propane-1,3-diamine?
2-(trimethoxysilylmethyl)propane-1,3-diamine has a molecular weight of 208.33 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethoxysilylmethyl)propane-1,3-diamine is sourced from PubChem (CID 18314288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).