4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine

C17H40N2O8Si — CID 150181765

IUPAC4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine
SMILESCOCCC(CCCN)(COC)O[Si](CCCN)(OC)OC(OC)(OC)OC
InChIInChI=1S/C17H40N2O8Si/c1-20-13-10-16(15-21-2,9-7-11-18)26-28(25-6,14-8-12-19)27-17(22-3,23-4)24-5/h7-15,18-19H2,1-6H3
InChIKeyFLORGWFHJNKCJH-UHFFFAOYSA-N
MW428.60 g/mol
LogP0.66
Rot. Bonds19

About 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine

4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine (PubChem CID 150181765) has the molecular formula C17H40N2O8Si and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine.

Molecular Properties

Compound Name4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine
PubChem CID150181765
Molecular FormulaC17H40N2O8Si
Molecular Weight428.60 g/mol
Exact Mass428.26
IUPAC Name4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine
SMILESCOCCC(CCCN)(COC)O[Si](CCCN)(OC)OC(OC)(OC)OC
InChIInChI=1S/C17H40N2O8Si/c1-20-13-10-16(15-21-2,9-7-11-18)26-28(25-6,14-8-12-19)27-17(22-3,23-4)24-5/h7-15,18-19H2,1-6H3
InChIKeyFLORGWFHJNKCJH-UHFFFAOYSA-N
XLogP0.66
TPSA125.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
cyclobutane;3-trimethoxysilylpropan-1-amine
CID 175187694
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine
CID 157071807
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
3-silylpropan-1-amine;3-trimethoxysilylpropan-1-amine
CID 158758636
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
isothiocyanic acid;3-trimethoxysilylpropan-1-amine
CID 172722891
[4-(2-ethoxyethoxy)-7-trimethoxysilyl-4-(3-trimethoxysilylpropyl)heptyl]-trimethoxysilane
CID 158589804
3-[dimethoxy-[3-(methylamino)propoxy]silyl]propan-1-amine
CID 87114848

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine?
The IUPAC name of 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine (CID 150181765) is 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine.
What is the SMILES notation for 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine?
The canonical SMILES for 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine is COCCC(CCCN)(COC)O[Si](CCCN)(OC)OC(OC)(OC)OC.
What is the InChIKey of 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine?
The InChIKey is FLORGWFHJNKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N2O8Si/c1-20-13-10-16(15-21-2,9-7-11-18)26-28(25-6,14-8-12-19)27-17(22-3,23-4)24-5/h7-15,18-19H2,1-6H3.
What are the key properties of 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine?
4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine has a molecular weight of 428.60 g/mol, XLogP of 0.66, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl-methoxy-(trimethoxymethoxy)silyl]oxy-6-methoxy-4-(methoxymethyl)hexan-1-amine is sourced from PubChem (CID 150181765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).