N-benzyl-3-dipropoxysilylpropan-1-amine

C16H29NO2Si — CID 123489020

IUPACN-benzyl-3-dipropoxysilylpropan-1-amine
SMILESCCCO[SiH](CCCNCc1ccccc1)OCCC
InChIInChI=1S/C16H29NO2Si/c1-3-12-18-20(19-13-4-2)14-8-11-17-15-16-9-6-5-7-10-16/h5-7,9-10,17,20H,3-4,8,11-15H2,1-2H3
InChIKeyGWTNTEAUGBCTFO-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.24
Rot. Bonds12

About N-benzyl-3-dipropoxysilylpropan-1-amine

N-benzyl-3-dipropoxysilylpropan-1-amine (PubChem CID 123489020) has the molecular formula C16H29NO2Si and a molecular weight of 295.50 g/mol. Its IUPAC name is N-benzyl-3-dipropoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-dipropoxysilylpropan-1-amine
PubChem CID123489020
Molecular FormulaC16H29NO2Si
Molecular Weight295.50 g/mol
Exact Mass295.20
IUPAC NameN-benzyl-3-dipropoxysilylpropan-1-amine
SMILESCCCO[SiH](CCCNCc1ccccc1)OCCC
InChIInChI=1S/C16H29NO2Si/c1-3-12-18-20(19-13-4-2)14-8-11-17-15-16-9-6-5-7-10-16/h5-7,9-10,17,20H,3-4,8,11-15H2,1-2H3
InChIKeyGWTNTEAUGBCTFO-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-diethoxysilylbutan-1-amine
CID 173337642
azane;N-benzylbutan-1-amine
CID 175388745
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
benzyl(dipropoxy)silane
CID 123358150
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
dibutoxy(4-phenylbutyl)silane
CID 123309068
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
1-phenyl-N-(propoxymethyl)methanamine
CID 122494011

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-dipropoxysilylpropan-1-amine?
The IUPAC name of N-benzyl-3-dipropoxysilylpropan-1-amine (CID 123489020) is N-benzyl-3-dipropoxysilylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-dipropoxysilylpropan-1-amine?
The canonical SMILES for N-benzyl-3-dipropoxysilylpropan-1-amine is CCCO[SiH](CCCNCc1ccccc1)OCCC.
What is the InChIKey of N-benzyl-3-dipropoxysilylpropan-1-amine?
The InChIKey is GWTNTEAUGBCTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2Si/c1-3-12-18-20(19-13-4-2)14-8-11-17-15-16-9-6-5-7-10-16/h5-7,9-10,17,20H,3-4,8,11-15H2,1-2H3.
What are the key properties of N-benzyl-3-dipropoxysilylpropan-1-amine?
N-benzyl-3-dipropoxysilylpropan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 3.24, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-dipropoxysilylpropan-1-amine is sourced from PubChem (CID 123489020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).