N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide

C38H86F4N4O16Si4 — CID 159798028

IUPACN,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide
SMILESCOCC(F)(F)OC(F)(F)OCC(=O)N(CCCCCCNCCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C24H50F4N2O10Si2.C14H36N2O6Si2/c1-32-21-23(25,26)40-24(27,28)39-20-22(31)30(17-13-19-42(36-5,37-6)38-7)16-11-9-8-10-14-29-15-12-18-41(33-2,34-3)35-4;1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h29H,8-21H2,1-7H3;15-16H,7-14H2,1-6H3
InChIKeyNJKOPLPNCGXQBK-UHFFFAOYSA-N
MW1043.45 g/mol
LogP4.03
Rot. Bonds45

About N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide

N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide (PubChem CID 159798028) has the molecular formula C38H86F4N4O16Si4 and a molecular weight of 1043.45 g/mol. Its IUPAC name is N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide.

Molecular Properties

Compound NameN,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide
PubChem CID159798028
Molecular FormulaC38H86F4N4O16Si4
Molecular Weight1043.45 g/mol
Exact Mass1042.51
IUPAC NameN,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide
SMILESCOCC(F)(F)OC(F)(F)OCC(=O)N(CCCCCCNCCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C24H50F4N2O10Si2.C14H36N2O6Si2/c1-32-21-23(25,26)40-24(27,28)39-20-22(31)30(17-13-19-42(36-5,37-6)38-7)16-11-9-8-10-14-29-15-12-18-41(33-2,34-3)35-4;1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h29H,8-21H2,1-7H3;15-16H,7-14H2,1-6H3
InChIKeyNJKOPLPNCGXQBK-UHFFFAOYSA-N
XLogP4.03
TPSA194.85 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds45
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.45
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

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-[3-[propanoyl(3-trimethoxysilylpropyl)amino]propyl]carbamoyl fluoride;1,2,2-trifluoropropane
CID 90715116
2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-2,2-difluoroethoxy]-N-(3-trimethoxysilylpropyl)acetamide
CID 153452949
2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
2-methanidyloxyacetic acid;2-methanidyloxy-N,N-bis(3-trimethoxysilylpropyl)acetamide;bis(rutherfordium)
CID 157219113
2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide
CID 167132315
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N-butyl-N-[5-(butylamino)pentyl]propanamide
CID 142121020
3-(5-trimethoxysilylpentylamino)propanoic acid
CID 150405129
3-(10-trimethoxysilyldecylamino)propanoic acid
CID 151748787
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
3,4,4-trifluoro-N,N-bis(3-trimethoxysilylpropyl)butanamide
CID 176815905

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide?
The IUPAC name of N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide (CID 159798028) is N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide.
What is the SMILES notation for N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide?
The canonical SMILES for N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide is COCC(F)(F)OC(F)(F)OCC(=O)N(CCCCCCNCCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide?
The InChIKey is NJKOPLPNCGXQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50F4N2O10Si2.C14H36N2O6Si2/c1-32-21-23(25,26)40-24(27,28)39-20-22(31)30(17-13-19-42(36-5,37-6)38-7)16-11-9-8-10-14-29-15-12-18-41(33-2,34-3)35-4;1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h29H,8-21H2,1-7H3;15-16H,7-14H2,1-6H3.
What are the key properties of N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide?
N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide has a molecular weight of 1043.45 g/mol, XLogP of 4.03, 45 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine;2-[(1,1-difluoro-2-methoxyethoxy)-difluoromethoxy]-N-(3-trimethoxysilylpropyl)-N-[6-(3-trimethoxysilylpropylamino)hexyl]acetamide is sourced from PubChem (CID 159798028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).