N'-(3-tripropoxysilylpropyl)methanediamine

C13H32N2O3Si — CID 18006721

IUPACN'-(3-tripropoxysilylpropyl)methanediamine
SMILESCCCO[Si](CCCNCN)(OCCC)OCCC
InChIInChI=1S/C13H32N2O3Si/c1-4-9-16-19(17-10-5-2,18-11-6-3)12-7-8-15-13-14/h15H,4-14H2,1-3H3
InChIKeyWGQNATLAKCSIMZ-UHFFFAOYSA-N
MW292.50 g/mol
LogP2.10
Rot. Bonds14

About N'-(3-tripropoxysilylpropyl)methanediamine

N'-(3-tripropoxysilylpropyl)methanediamine (PubChem CID 18006721) has the molecular formula C13H32N2O3Si and a molecular weight of 292.50 g/mol. Its IUPAC name is N'-(3-tripropoxysilylpropyl)methanediamine.

Molecular Properties

Compound NameN'-(3-tripropoxysilylpropyl)methanediamine
PubChem CID18006721
Molecular FormulaC13H32N2O3Si
Molecular Weight292.50 g/mol
Exact Mass292.22
IUPAC NameN'-(3-tripropoxysilylpropyl)methanediamine
SMILESCCCO[Si](CCCNCN)(OCCC)OCCC
InChIInChI=1S/C13H32N2O3Si/c1-4-9-16-19(17-10-5-2,18-11-6-3)12-7-8-15-13-14/h15H,4-14H2,1-3H3
InChIKeyWGQNATLAKCSIMZ-UHFFFAOYSA-N
XLogP2.10
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(Triethoxysilylpropyl)urea
CID 90258
1-Propanamine, N-methyl-3-(triethoxysilyl)-
CID 80142
N~1~-(2-Aminoethyl)-N~2~-[3-(triethoxysilyl)propyl]ethane-1,2-diamine
CID 15212054
3-(n-Aminoethyl)aminopropyltrimethoxysilane
CID 21225588
n-Triethoxysilylpropylurea
CID 22227405
3-[2-(Aminoethyl)amino] propyl trimethoxysilane
CID 22662576
N-[3-(triethoxysilyl)propyl]cyanamide
CID 129763462
1,3-Propanediamine, N-[3-(triethoxysilyl)propyl]-
CID 94710
Methylaminopropyldiethoxysilane
CID 87077582
3-[Diethoxy(methoxy)silyl]propylurea
CID 3319151
N-Ethyl-3-(triethoxysilyl)propan-1-amine
CID 13310978
1-Butyl-3-(3-triethoxysilylpropyl)thiourea
CID 14513095

Frequently Asked Questions

What is the IUPAC name of N'-(3-tripropoxysilylpropyl)methanediamine?
The IUPAC name of N'-(3-tripropoxysilylpropyl)methanediamine (CID 18006721) is N'-(3-tripropoxysilylpropyl)methanediamine.
What is the SMILES notation for N'-(3-tripropoxysilylpropyl)methanediamine?
The canonical SMILES for N'-(3-tripropoxysilylpropyl)methanediamine is CCCO[Si](CCCNCN)(OCCC)OCCC.
What is the InChIKey of N'-(3-tripropoxysilylpropyl)methanediamine?
The InChIKey is WGQNATLAKCSIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N2O3Si/c1-4-9-16-19(17-10-5-2,18-11-6-3)12-7-8-15-13-14/h15H,4-14H2,1-3H3.
What are the key properties of N'-(3-tripropoxysilylpropyl)methanediamine?
N'-(3-tripropoxysilylpropyl)methanediamine has a molecular weight of 292.50 g/mol, XLogP of 2.10, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tripropoxysilylpropyl)methanediamine is sourced from PubChem (CID 18006721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).