4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine

C18H39NO3Si — CID 142452569

IUPAC4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
SMILESCCCC(CC/N=C(\C)CC(C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H39NO3Si/c1-8-12-18(13-14-19-17(7)15-16(5)6)23(20-9-2,21-10-3)22-11-4/h16,18H,8-15H2,1-7H3/b19-17+
InChIKeyKKMYHUPTRNHBTB-HTXNQAPBSA-N
MW345.60 g/mol
LogP5.10
Rot. Bonds14

About 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine

4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine (PubChem CID 142452569) has the molecular formula C18H39NO3Si and a molecular weight of 345.60 g/mol. Its IUPAC name is 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
PubChem CID142452569
Molecular FormulaC18H39NO3Si
Molecular Weight345.60 g/mol
Exact Mass345.27
IUPAC Name4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
SMILESCCCC(CC/N=C(\C)CC(C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H39NO3Si/c1-8-12-18(13-14-19-17(7)15-16(5)6)23(20-9-2,21-10-3)22-11-4/h16,18H,8-15H2,1-7H3/b19-17+
InChIKeyKKMYHUPTRNHBTB-HTXNQAPBSA-N
XLogP5.10
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.60
LogP ≤ 55.10
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine?
The IUPAC name of 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine (CID 142452569) is 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine.
What is the SMILES notation for 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine?
The canonical SMILES for 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine is CCCC(CC/N=C(\C)CC(C)C)[Si](OCC)(OCC)OCC.
What is the InChIKey of 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine?
The InChIKey is KKMYHUPTRNHBTB-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H39NO3Si/c1-8-12-18(13-14-19-17(7)15-16(5)6)23(20-9-2,21-10-3)22-11-4/h16,18H,8-15H2,1-7H3/b19-17+.
What are the key properties of 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine?
4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine has a molecular weight of 345.60 g/mol, XLogP of 5.10, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine is sourced from PubChem (CID 142452569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).