N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine

C19H48N2O9Si2 — CID 157071807

IUPACN-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine
SMILESCNCCC[Si](OC)(OC)OC.COCCO[Si](CCCN)(OCCOC)OCCOC
InChIInChI=1S/C12H29NO6Si.C7H19NO3Si/c1-14-6-9-17-20(12-4-5-13,18-10-7-15-2)19-11-8-16-3;1-8-6-5-7-12(9-2,10-3)11-4/h4-13H2,1-3H3;8H,5-7H2,1-4H3
InChIKeyACNBXCXFIWHXQZ-UHFFFAOYSA-N
MW504.77 g/mol
LogP0.74
Rot. Bonds22

About N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine

N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine (PubChem CID 157071807) has the molecular formula C19H48N2O9Si2 and a molecular weight of 504.77 g/mol. Its IUPAC name is N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine
PubChem CID157071807
Molecular FormulaC19H48N2O9Si2
Molecular Weight504.77 g/mol
Exact Mass504.29
IUPAC NameN-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine
SMILESCNCCC[Si](OC)(OC)OC.COCCO[Si](CCCN)(OCCOC)OCCOC
InChIInChI=1S/C12H29NO6Si.C7H19NO3Si/c1-14-6-9-17-20(12-4-5-13,18-10-7-15-2)19-11-8-16-3;1-8-6-5-7-12(9-2,10-3)11-4/h4-13H2,1-3H3;8H,5-7H2,1-4H3
InChIKeyACNBXCXFIWHXQZ-UHFFFAOYSA-N
XLogP0.74
TPSA121.12 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.77
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

3-[dimethoxy-[3-(methylamino)propoxy]silyl]propan-1-amine
CID 87114848
N-methyl-3-tributoxysilylpropan-1-amine
CID 87391631
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
3-[3-aminopropyl(diethoxy)silyl]oxy-3-methylpentane-1,5-diol;N-(3-trimethoxysilylpropyl)butan-1-amine;3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine
CID 157496346
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
3-bromopropyl-tris(2-methoxyethoxy)silane
CID 22644088
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
CID 58159312
CID 58159312
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine?
The IUPAC name of N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine (CID 157071807) is N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine?
The canonical SMILES for N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine is CNCCC[Si](OC)(OC)OC.COCCO[Si](CCCN)(OCCOC)OCCOC.
What is the InChIKey of N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine?
The InChIKey is ACNBXCXFIWHXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO6Si.C7H19NO3Si/c1-14-6-9-17-20(12-4-5-13,18-10-7-15-2)19-11-8-16-3;1-8-6-5-7-12(9-2,10-3)11-4/h4-13H2,1-3H3;8H,5-7H2,1-4H3.
What are the key properties of N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine?
N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine has a molecular weight of 504.77 g/mol, XLogP of 0.74, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine is sourced from PubChem (CID 157071807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).