N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine

C29H69NO10Si4 — CID 172801101

IUPACN,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine
SMILESCCOC(OCC)[SiH2]CCCN(CCC[SiH2]C(OCC)OCC)C(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C29H69NO10Si4/c1-11-37-28(38-12-2)41-23-17-21-30(22-18-24-42-29(39-13-3)40-14-4)27(19-15-25-43(31-5,32-6)33-7)20-16-26-44(34-8,35-9)36-10/h27-29H,11-26,41-42H2,1-10H3
InChIKeyQWJAOJQNDFIGNV-UHFFFAOYSA-N
MW704.21 g/mol
LogP3.64
Rot. Bonds33

About N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine

N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine (PubChem CID 172801101) has the molecular formula C29H69NO10Si4 and a molecular weight of 704.21 g/mol. Its IUPAC name is N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine.

Molecular Properties

Compound NameN,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine
PubChem CID172801101
Molecular FormulaC29H69NO10Si4
Molecular Weight704.21 g/mol
Exact Mass703.40
IUPAC NameN,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine
SMILESCCOC(OCC)[SiH2]CCCN(CCC[SiH2]C(OCC)OCC)C(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C29H69NO10Si4/c1-11-37-28(38-12-2)41-23-17-21-30(22-18-24-42-29(39-13-3)40-14-4)27(19-15-25-43(31-5,32-6)33-7)20-16-26-44(34-8,35-9)36-10/h27-29H,11-26,41-42H2,1-10H3
InChIKeyQWJAOJQNDFIGNV-UHFFFAOYSA-N
XLogP3.64
TPSA95.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds33
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

3-(diethoxymethylsilyl)-N-[3-(diethoxymethylsilyl)propyl]-N-methylpropan-1-amine
CID 154169391
3-(diethoxymethylsilyl)-N,N-bis(trimethylsilyl)propan-1-amine
CID 149152613
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
diethoxymethyl-[8-(diethoxymethylsilyl)octyl]silane
CID 123758239
diethoxymethyl(heptadecyl)silane
CID 154220252
6-(diethoxymethylsilyl)hexyl-ethoxy-dimethylsilane
CID 123869015
trimethoxy(4-methylheptyl)silane
CID 23534240
1-N',1-N'-bis(3-trimethoxysilylpropyl)ethane-1,1-diamine
CID 141251995
N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
CID 173427535
3-(diethoxymethylsilyl)propyl hydrogen carbonate
CID 173009319
1,8-bis(trimethoxysilyl)octane-4,5-diamine
CID 57029504
N,N-dibutyltridecan-4-amine
CID 139649762

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine?
The IUPAC name of N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine (CID 172801101) is N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine.
What is the SMILES notation for N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine?
The canonical SMILES for N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine is CCOC(OCC)[SiH2]CCCN(CCC[SiH2]C(OCC)OCC)C(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine?
The InChIKey is QWJAOJQNDFIGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H69NO10Si4/c1-11-37-28(38-12-2)41-23-17-21-30(22-18-24-42-29(39-13-3)40-14-4)27(19-15-25-43(31-5,32-6)33-7)20-16-26-44(34-8,35-9)36-10/h27-29H,11-26,41-42H2,1-10H3.
What are the key properties of N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine?
N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine has a molecular weight of 704.21 g/mol, XLogP of 3.64, 33 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(diethoxymethylsilyl)propyl]-1,7-bis(trimethoxysilyl)heptan-4-amine is sourced from PubChem (CID 172801101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).