4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine

C30H64N2O7Si2 — CID 174412172

IUPAC4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine
SMILESCCO[Si](CCC(N=C(C)CC(C)C)OC(CC[Si](OCC)(OCC)OCC)N=C(C)CC(C)C)(OCC)OCC
InChIInChI=1S/C30H64N2O7Si2/c1-13-33-40(34-14-2,35-15-3)21-19-29(31-27(11)23-25(7)8)39-30(32-28(12)24-26(9)10)20-22-41(36-16-4,37-17-5)38-18-6/h25-26,29-30H,13-24H2,1-12H3
InChIKeyNLZPHUZYUAOCPI-UHFFFAOYSA-N
MW621.02 g/mol
LogP7.55
Rot. Bonds26

About 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine

4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine (PubChem CID 174412172) has the molecular formula C30H64N2O7Si2 and a molecular weight of 621.02 g/mol. Its IUPAC name is 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine
PubChem CID174412172
Molecular FormulaC30H64N2O7Si2
Molecular Weight621.02 g/mol
Exact Mass620.43
IUPAC Name4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine
SMILESCCO[Si](CCC(N=C(C)CC(C)C)OC(CC[Si](OCC)(OCC)OCC)N=C(C)CC(C)C)(OCC)OCC
InChIInChI=1S/C30H64N2O7Si2/c1-13-33-40(34-14-2,35-15-3)21-19-29(31-27(11)23-25(7)8)39-30(32-28(12)24-26(9)10)20-22-41(36-16-4,37-17-5)38-18-6/h25-26,29-30H,13-24H2,1-12H3
InChIKeyNLZPHUZYUAOCPI-UHFFFAOYSA-N
XLogP7.55
TPSA89.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.02
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpentan-2-ylidene)-3-triethoxysilylpropanamide
CID 142656935
4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine
CID 173017912
triethoxy(3,4,5-trimethylhex-5-enyl)silane
CID 87112408
4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
CID 142452569
1,3-bis(triethoxysilyl)propan-1-amine
CID 154111466
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
4-[diethoxy(methoxy)silyl]butane-2-thiol
CID 22227180
N,N-bis[2-(4-methylpentan-2-ylideneamino)ethyl]-3-triethoxysilylpropan-1-amine;N,N-bis[2-(4-methylpentan-2-ylideneamino)ethyl]-10-trimethoxysilyldecan-1-amine;N,N-bis[2-(4-methylpentan-2-ylideneamino)ethyl]-3-trimethoxysilylpropan-1-amine;3-(ethoxy-methoxy-methylsilyl)-N,N-bis[2-(propan-2-ylideneamino)ethyl]propan-1-amine;2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]-N-(trimethoxysilylmethyl)ethanamine
CID 163505696
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
CID 87594295

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine?
The IUPAC name of 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine (CID 174412172) is 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine.
What is the SMILES notation for 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine?
The canonical SMILES for 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine is CCO[Si](CCC(N=C(C)CC(C)C)OC(CC[Si](OCC)(OCC)OCC)N=C(C)CC(C)C)(OCC)OCC.
What is the InChIKey of 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine?
The InChIKey is NLZPHUZYUAOCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N2O7Si2/c1-13-33-40(34-14-2,35-15-3)21-19-29(31-27(11)23-25(7)8)39-30(32-28(12)24-26(9)10)20-22-41(36-16-4,37-17-5)38-18-6/h25-26,29-30H,13-24H2,1-12H3.
What are the key properties of 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine?
4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine has a molecular weight of 621.02 g/mol, XLogP of 7.55, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine is sourced from PubChem (CID 174412172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).