N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine

C15H33NO2Si — CID 150099790

IUPACN-(3-diethoxysilylbutyl)-5-methylhexan-3-imine
SMILESCCO[SiH](OCC)C(C)CC/N=C(\CC)CC(C)C
InChIInChI=1S/C15H33NO2Si/c1-7-15(12-13(4)5)16-11-10-14(6)19(17-8-2)18-9-3/h13-14,19H,7-12H2,1-6H3/b16-15+
InChIKeyDUZLYJQHSGKZDA-FOCLMDBBSA-N
MW287.52 g/mol
LogP3.96
Rot. Bonds11

About N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine

N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine (PubChem CID 150099790) has the molecular formula C15H33NO2Si and a molecular weight of 287.52 g/mol. Its IUPAC name is N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine.

Molecular Properties

Compound NameN-(3-diethoxysilylbutyl)-5-methylhexan-3-imine
PubChem CID150099790
Molecular FormulaC15H33NO2Si
Molecular Weight287.52 g/mol
Exact Mass287.23
IUPAC NameN-(3-diethoxysilylbutyl)-5-methylhexan-3-imine
SMILESCCO[SiH](OCC)C(C)CC/N=C(\CC)CC(C)C
InChIInChI=1S/C15H33NO2Si/c1-7-15(12-13(4)5)16-11-10-14(6)19(17-8-2)18-9-3/h13-14,19H,7-12H2,1-6H3/b16-15+
InChIKeyDUZLYJQHSGKZDA-FOCLMDBBSA-N
XLogP3.96
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

diethoxy(7-isocyanatoheptan-2-yl)silane
CID 154084037
N,N,N',N'-tetrakis(3-diethoxysilylbutyl)propane-1,3-diamine
CID 172829871
(1-cyclopropyl-3-methylbutyl)-diethoxysilane
CID 123461321
ethyl N-(2-diethoxysilylpropyl)carbamate
CID 154255932
diethoxy-(1-isocyanato-4-methylpentyl)silane
CID 173033174
4-methyl-N-(3-triethoxysilylhexyl)pentan-2-imine
CID 142452569
N-(3-ethoxytridecyl)-4-methylpentan-2-imine
CID 151135054
ethoxy(dihydroxy)silane
CID 123755405
(1-chloro-4-isocyanatobutan-2-yl)-diethoxysilane
CID 151254324
6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine
CID 175408997
3-methyl-N-(pentan-3-ylideneamino)butanamide
CID 4113176
CID 162352713
CID 162352713

Frequently Asked Questions

What is the IUPAC name of N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine?
The IUPAC name of N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine (CID 150099790) is N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine.
What is the SMILES notation for N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine?
The canonical SMILES for N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine is CCO[SiH](OCC)C(C)CC/N=C(\CC)CC(C)C.
What is the InChIKey of N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine?
The InChIKey is DUZLYJQHSGKZDA-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H33NO2Si/c1-7-15(12-13(4)5)16-11-10-14(6)19(17-8-2)18-9-3/h13-14,19H,7-12H2,1-6H3/b16-15+.
What are the key properties of N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine?
N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine has a molecular weight of 287.52 g/mol, XLogP of 3.96, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-diethoxysilylbutyl)-5-methylhexan-3-imine is sourced from PubChem (CID 150099790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).