2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane

C17H32N2O3Si — CID 66713657

IUPAC2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane
SMILESC=CC(N)(CN)Cc1ccccc1.CCC[Si](OC)(OC)OC
InChIInChI=1S/C11H16N2.C6H16O3Si/c1-2-11(13,9-12)8-10-6-4-3-5-7-10;1-5-6-10(7-2,8-3)9-4/h2-7H,1,8-9,12-13H2;5-6H2,1-4H3
InChIKeyRAKXHXQPPIBGIL-UHFFFAOYSA-N
MW340.54 g/mol
LogP2.35
Rot. Bonds9

About 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane

2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane (PubChem CID 66713657) has the molecular formula C17H32N2O3Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane.

Molecular Properties

Compound Name2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane
PubChem CID66713657
Molecular FormulaC17H32N2O3Si
Molecular Weight340.54 g/mol
Exact Mass340.22
IUPAC Name2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane
SMILESC=CC(N)(CN)Cc1ccccc1.CCC[Si](OC)(OC)OC
InChIInChI=1S/C11H16N2.C6H16O3Si/c1-2-11(13,9-12)8-10-6-4-3-5-7-10;1-5-6-10(7-2,8-3)9-4/h2-7H,1,8-9,12-13H2;5-6H2,1-4H3
InChIKeyRAKXHXQPPIBGIL-UHFFFAOYSA-N
XLogP2.35
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-benzylhept-1-en-3-amine
CID 174302604
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
trimethoxy(12-phenyldodecyl)silane
CID 54325157
3-benzyl-3-ethenyl-2-methylheptadecan-2-amine
CID 69022201
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
benzyl-diethyl-(3-trimethoxysilylpropyl)azanium
CID 175077769
prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate
CID 159399182
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride
CID 140986490
1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine
CID 19877442
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
tribenzyl(3-trimethoxysilylpropyl)azanium
CID 132606843
3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride
CID 141374135

Frequently Asked Questions

What is the IUPAC name of 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane?
The IUPAC name of 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane (CID 66713657) is 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane.
What is the SMILES notation for 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane?
The canonical SMILES for 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane is C=CC(N)(CN)Cc1ccccc1.CCC[Si](OC)(OC)OC.
What is the InChIKey of 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane?
The InChIKey is RAKXHXQPPIBGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C6H16O3Si/c1-2-11(13,9-12)8-10-6-4-3-5-7-10;1-5-6-10(7-2,8-3)9-4/h2-7H,1,8-9,12-13H2;5-6H2,1-4H3.
What are the key properties of 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane?
2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane has a molecular weight of 340.54 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane is sourced from PubChem (CID 66713657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).