N'-(3-trimethoxysilylpropyl)butane-1,4-diamine

C10H26N2O3Si — CID 19350034

IUPACN'-(3-trimethoxysilylpropyl)butane-1,4-diamine
SMILESCO[Si](CCCNCCCCN)(OC)OC
InChIInChI=1S/C10H26N2O3Si/c1-13-16(14-2,15-3)10-6-9-12-8-5-4-7-11/h12H,4-11H2,1-3H3
InChIKeyRSEQQIPNZVTJJJ-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.58
Rot. Bonds11

About N'-(3-trimethoxysilylpropyl)butane-1,4-diamine

N'-(3-trimethoxysilylpropyl)butane-1,4-diamine (PubChem CID 19350034) has the molecular formula C10H26N2O3Si and a molecular weight of 250.41 g/mol. Its IUPAC name is N'-(3-trimethoxysilylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-trimethoxysilylpropyl)butane-1,4-diamine
PubChem CID19350034
Molecular FormulaC10H26N2O3Si
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN'-(3-trimethoxysilylpropyl)butane-1,4-diamine
SMILESCO[Si](CCCNCCCCN)(OC)OC
InChIInChI=1S/C10H26N2O3Si/c1-13-16(14-2,15-3)10-6-9-12-8-5-4-7-11/h12H,4-11H2,1-3H3
InChIKeyRSEQQIPNZVTJJJ-UHFFFAOYSA-N
XLogP0.58
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.58
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'}

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Related Compounds

(Trimethoxysilylpropyl)ethylenediamine
CID 15659
Bis(trimethoxysilylpropyl)amine
CID 157882
3-((Trimethoxysilyl)propyl)diethylenetriamine
CID 118771
N-(2-Aminoethyl)-3-aminopropylmethyldimethoxysilane
CID 76482
1-Butanamine, N-(3-(trimethoxysilyl)propyl)-
CID 160192
1-Propanamine, N-methyl-3-(trimethoxysilyl)-
CID 76480
1,2-Ethanediamine, N1-(3-(triethoxysilyl)propyl)-
CID 78772
N-(3-(dimethoxymethylsilyl)-2-methylpropyl)ethylenediamine
CID 90922
N,N'-Bis(3-(trimethoxysilyl)propyl)ethane-1,2-diamine
CID 111651
1-Propanamine, N-ethyl-2-methyl-3-(trimethoxysilyl)-
CID 11172079
N-(6-Aminohexyl)aminopropyltrimethoxysilane
CID 9925638
1-Propanamine, N-methyl-3-(triethoxysilyl)-
CID 80142

Frequently Asked Questions

What is the IUPAC name of N'-(3-trimethoxysilylpropyl)butane-1,4-diamine?
The IUPAC name of N'-(3-trimethoxysilylpropyl)butane-1,4-diamine (CID 19350034) is N'-(3-trimethoxysilylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3-trimethoxysilylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-(3-trimethoxysilylpropyl)butane-1,4-diamine is CO[Si](CCCNCCCCN)(OC)OC.
What is the InChIKey of N'-(3-trimethoxysilylpropyl)butane-1,4-diamine?
The InChIKey is RSEQQIPNZVTJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O3Si/c1-13-16(14-2,15-3)10-6-9-12-8-5-4-7-11/h12H,4-11H2,1-3H3.
What are the key properties of N'-(3-trimethoxysilylpropyl)butane-1,4-diamine?
N'-(3-trimethoxysilylpropyl)butane-1,4-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.58, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-trimethoxysilylpropyl)butane-1,4-diamine is sourced from PubChem (CID 19350034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).