N-(2-triethoxysilylpropyl)pentan-2-imine

C14H31NO3Si — CID 141498426

IUPACN-(2-triethoxysilylpropyl)pentan-2-imine
SMILESCCC/C(C)=N/CC(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H31NO3Si/c1-7-11-13(5)15-12-14(6)19(16-8-2,17-9-3)18-10-4/h14H,7-12H2,1-6H3/b15-13+
InChIKeyWDUJMCXKRCPNRG-FYWRMAATSA-N
MW289.49 g/mol
LogP3.69
Rot. Bonds11

About N-(2-triethoxysilylpropyl)pentan-2-imine

N-(2-triethoxysilylpropyl)pentan-2-imine (PubChem CID 141498426) has the molecular formula C14H31NO3Si and a molecular weight of 289.49 g/mol. Its IUPAC name is N-(2-triethoxysilylpropyl)pentan-2-imine.

Molecular Properties

Compound NameN-(2-triethoxysilylpropyl)pentan-2-imine
PubChem CID141498426
Molecular FormulaC14H31NO3Si
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC NameN-(2-triethoxysilylpropyl)pentan-2-imine
SMILESCCC/C(C)=N/CC(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H31NO3Si/c1-7-11-13(5)15-12-14(6)19(16-8-2,17-9-3)18-10-4/h14H,7-12H2,1-6H3/b15-13+
InChIKeyWDUJMCXKRCPNRG-FYWRMAATSA-N
XLogP3.69
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-triethoxysilylpropyl)propan-2-imine
CID 141152918
N-(2-methylpentyl)pentan-2-imine
CID 123573423
N-(2-triethoxysilylpropyl)ethanimine
CID 141202089
(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine
CID 170442301
4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
CID 142452569
N,N-dimethyl-2-triethoxysilylpropan-1-amine
CID 23051840
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 172950111
4-triethoxysilylpentyl 2-methylprop-2-enoate
CID 87402271
(amino-ethoxy-ethylsilyl)oxyethane;1-triethoxysilylethanamine
CID 87963460
2-triethoxysilylpropanoate
CID 22068871
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282

Frequently Asked Questions

What is the IUPAC name of N-(2-triethoxysilylpropyl)pentan-2-imine?
The IUPAC name of N-(2-triethoxysilylpropyl)pentan-2-imine (CID 141498426) is N-(2-triethoxysilylpropyl)pentan-2-imine.
What is the SMILES notation for N-(2-triethoxysilylpropyl)pentan-2-imine?
The canonical SMILES for N-(2-triethoxysilylpropyl)pentan-2-imine is CCC/C(C)=N/CC(C)[Si](OCC)(OCC)OCC.
What is the InChIKey of N-(2-triethoxysilylpropyl)pentan-2-imine?
The InChIKey is WDUJMCXKRCPNRG-FYWRMAATSA-N. The full InChI is InChI=1S/C14H31NO3Si/c1-7-11-13(5)15-12-14(6)19(16-8-2,17-9-3)18-10-4/h14H,7-12H2,1-6H3/b15-13+.
What are the key properties of N-(2-triethoxysilylpropyl)pentan-2-imine?
N-(2-triethoxysilylpropyl)pentan-2-imine has a molecular weight of 289.49 g/mol, XLogP of 3.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-triethoxysilylpropyl)pentan-2-imine is sourced from PubChem (CID 141498426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).