N'-(1-tripropoxysilylpropan-2-yl)methanediamine

C13H32N2O3Si — CID 18006724

IUPACN'-(1-tripropoxysilylpropan-2-yl)methanediamine
SMILESCCCO[Si](CC(C)NCN)(OCCC)OCCC
InChIInChI=1S/C13H32N2O3Si/c1-5-8-16-19(17-9-6-2,18-10-7-3)11-13(4)15-12-14/h13,15H,5-12,14H2,1-4H3
InChIKeyPJGGDIXPQJAZGA-UHFFFAOYSA-N
MW292.50 g/mol
LogP2.10
Rot. Bonds13

About N'-(1-tripropoxysilylpropan-2-yl)methanediamine

N'-(1-tripropoxysilylpropan-2-yl)methanediamine (PubChem CID 18006724) has the molecular formula C13H32N2O3Si and a molecular weight of 292.50 g/mol. Its IUPAC name is N'-(1-tripropoxysilylpropan-2-yl)methanediamine.

Molecular Properties

Compound NameN'-(1-tripropoxysilylpropan-2-yl)methanediamine
PubChem CID18006724
Molecular FormulaC13H32N2O3Si
Molecular Weight292.50 g/mol
Exact Mass292.22
IUPAC NameN'-(1-tripropoxysilylpropan-2-yl)methanediamine
SMILESCCCO[Si](CC(C)NCN)(OCCC)OCCC
InChIInChI=1S/C13H32N2O3Si/c1-5-8-16-19(17-9-6-2,18-10-7-3)11-13(4)15-12-14/h13,15H,5-12,14H2,1-4H3
InChIKeyPJGGDIXPQJAZGA-UHFFFAOYSA-N
XLogP2.10
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 52.10
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-(alpha-aminoethyl)-beta-aminopropyl trimethoxysilane
CID 19826476
1-N'-(1-triethoxysilylpropyl)ethane-1,1-diamine
CID 17789711
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine
CID 17962964
N'-(1-trimethoxysilylpropan-2-yl)methanediamine
CID 18006717
N'-(1-tripropoxysilylpropan-2-yl)ethane-1,2-diamine
CID 18006718
N'-(3-tripropoxysilylpropyl)methanediamine
CID 18006721
N'-(1-triethoxysilylpropan-2-yl)methanediamine
CID 18006725
N'-(2-triethoxysilylethyl)methanediamine
CID 18006737
N'-(2-tripropoxysilylethyl)methanediamine
CID 18459432
N-ethyl-1-triethoxysilylpropan-2-amine
CID 19877448
N-methyl-1-triethoxysilylpropan-2-amine
CID 20032145
1-Triethoxysilylpropan-2-ylurea
CID 20406329

Frequently Asked Questions

What is the IUPAC name of N'-(1-tripropoxysilylpropan-2-yl)methanediamine?
The IUPAC name of N'-(1-tripropoxysilylpropan-2-yl)methanediamine (CID 18006724) is N'-(1-tripropoxysilylpropan-2-yl)methanediamine.
What is the SMILES notation for N'-(1-tripropoxysilylpropan-2-yl)methanediamine?
The canonical SMILES for N'-(1-tripropoxysilylpropan-2-yl)methanediamine is CCCO[Si](CC(C)NCN)(OCCC)OCCC.
What is the InChIKey of N'-(1-tripropoxysilylpropan-2-yl)methanediamine?
The InChIKey is PJGGDIXPQJAZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N2O3Si/c1-5-8-16-19(17-9-6-2,18-10-7-3)11-13(4)15-12-14/h13,15H,5-12,14H2,1-4H3.
What are the key properties of N'-(1-tripropoxysilylpropan-2-yl)methanediamine?
N'-(1-tripropoxysilylpropan-2-yl)methanediamine has a molecular weight of 292.50 g/mol, XLogP of 2.10, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-tripropoxysilylpropan-2-yl)methanediamine is sourced from PubChem (CID 18006724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).