3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine

C17H30N2O3Si — CID 68631769

IUPAC3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
SMILESC=CC(CCNCc1ccccc1)O[Si](CCCN)(OC)OC
InChIInChI=1S/C17H30N2O3Si/c1-4-17(22-23(20-2,21-3)14-8-12-18)11-13-19-15-16-9-6-5-7-10-16/h4-7,9-10,17,19H,1,8,11-15,18H2,2-3H3
InChIKeyHPTIOUARDYPMOF-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.32
Rot. Bonds13

About 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine

3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine (PubChem CID 68631769) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine.

Molecular Properties

Compound Name3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
PubChem CID68631769
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
SMILESC=CC(CCNCc1ccccc1)O[Si](CCCN)(OC)OC
InChIInChI=1S/C17H30N2O3Si/c1-4-17(22-23(20-2,21-3)14-8-12-18)11-13-19-15-16-9-6-5-7-10-16/h4-7,9-10,17,19H,1,8,11-15,18H2,2-3H3
InChIKeyHPTIOUARDYPMOF-UHFFFAOYSA-N
XLogP2.32
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[dimethoxy(prop-2-enoxy)silyl]ethanamine
CID 155679789
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride
CID 141374135
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
CID 140645888
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N'-benzyldodecane-1,12-diamine
CID 10589617
N'-benzylheptane-1,7-diamine
CID 61150072
2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
CID 101069366
N-benzyl-3-trimethoxysilylpropan-1-amine;N-methylaniline;trimethoxysilane
CID 173093441
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine?
The IUPAC name of 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine (CID 68631769) is 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine.
What is the SMILES notation for 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine?
The canonical SMILES for 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine is C=CC(CCNCc1ccccc1)O[Si](CCCN)(OC)OC.
What is the InChIKey of 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine?
The InChIKey is HPTIOUARDYPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-4-17(22-23(20-2,21-3)14-8-12-18)11-13-19-15-16-9-6-5-7-10-16/h4-7,9-10,17,19H,1,8,11-15,18H2,2-3H3.
What are the key properties of 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine?
3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine has a molecular weight of 338.52 g/mol, XLogP of 2.32, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine is sourced from PubChem (CID 68631769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).