N-(3-dipropoxysilylpropyl)butan-2-imine

C13H29NO2Si — CID 123900249

IUPACN-(3-dipropoxysilylpropyl)butan-2-imine
SMILESCCCO[SiH](CCC/N=C(\C)CC)OCCC
InChIInChI=1S/C13H29NO2Si/c1-5-10-15-17(16-11-6-2)12-8-9-14-13(4)7-3/h17H,5-12H2,1-4H3/b14-13+
InChIKeyOHNYSWLNPQXDQR-BUHFOSPRSA-N
MW259.47 g/mol
LogP3.32
Rot. Bonds11

About N-(3-dipropoxysilylpropyl)butan-2-imine

N-(3-dipropoxysilylpropyl)butan-2-imine (PubChem CID 123900249) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is N-(3-dipropoxysilylpropyl)butan-2-imine.

Molecular Properties

Compound NameN-(3-dipropoxysilylpropyl)butan-2-imine
PubChem CID123900249
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC NameN-(3-dipropoxysilylpropyl)butan-2-imine
SMILESCCCO[SiH](CCC/N=C(\C)CC)OCCC
InChIInChI=1S/C13H29NO2Si/c1-5-10-15-17(16-11-6-2)12-8-9-14-13(4)7-3/h17H,5-12H2,1-4H3/b14-13+
InChIKeyOHNYSWLNPQXDQR-BUHFOSPRSA-N
XLogP3.32
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloropropyl(dipropoxy)silane
CID 123436656
dibutoxy(3-dibutoxysilylpropyl)silane
CID 123992864
3-dipentoxysilylpropyl(dipentoxy)silane
CID 123859896
isocyanic acid;pentyl(dipropoxy)silane
CID 172700048
N-[3-[methoxy(dimethyl)silyl]propyl]butan-2-imine
CID 87583727
dipropoxy(undec-10-enyl)silane
CID 123425466
2-dipropoxysilyl-N,N-dimethylethanamine
CID 123245425
3-[3-dipropoxysilylpropyl(methyl)amino]propanoic acid
CID 173464123
propyl 3-butyliminobutanoate
CID 19796782
N-[3-[ethoxy(methyl)silyl]propyl]propan-2-imine
CID 172758866
propyl N-butylethanimidate
CID 155161366
dipentoxy(propyl)silane
CID 123345702

Frequently Asked Questions

What is the IUPAC name of N-(3-dipropoxysilylpropyl)butan-2-imine?
The IUPAC name of N-(3-dipropoxysilylpropyl)butan-2-imine (CID 123900249) is N-(3-dipropoxysilylpropyl)butan-2-imine.
What is the SMILES notation for N-(3-dipropoxysilylpropyl)butan-2-imine?
The canonical SMILES for N-(3-dipropoxysilylpropyl)butan-2-imine is CCCO[SiH](CCC/N=C(\C)CC)OCCC.
What is the InChIKey of N-(3-dipropoxysilylpropyl)butan-2-imine?
The InChIKey is OHNYSWLNPQXDQR-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H29NO2Si/c1-5-10-15-17(16-11-6-2)12-8-9-14-13(4)7-3/h17H,5-12H2,1-4H3/b14-13+.
What are the key properties of N-(3-dipropoxysilylpropyl)butan-2-imine?
N-(3-dipropoxysilylpropyl)butan-2-imine has a molecular weight of 259.47 g/mol, XLogP of 3.32, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dipropoxysilylpropyl)butan-2-imine is sourced from PubChem (CID 123900249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).