1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride

C17H31ClN2O3Si — CID 140986490

IUPAC1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride
SMILESC=CN(Cc1ccccc1)C(C)CO[Si](CCCN)(OC)OC.Cl
InChIInChI=1S/C17H30N2O3Si.ClH/c1-5-19(14-17-10-7-6-8-11-17)16(2)15-22-23(20-3,21-4)13-9-12-18;/h5-8,10-11,16H,1,9,12-15,18H2,2-4H3;1H
InChIKeyBXFQJSVXDZXHCO-UHFFFAOYSA-N
MW374.99 g/mol
LogP3.04
Rot. Bonds12

About 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride

1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride (PubChem CID 140986490) has the molecular formula C17H31ClN2O3Si and a molecular weight of 374.99 g/mol. Its IUPAC name is 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride
PubChem CID140986490
Molecular FormulaC17H31ClN2O3Si
Molecular Weight374.99 g/mol
Exact Mass374.18
IUPAC Name1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride
SMILESC=CN(Cc1ccccc1)C(C)CO[Si](CCCN)(OC)OC.Cl
InChIInChI=1S/C17H30N2O3Si.ClH/c1-5-19(14-17-10-7-6-8-11-17)16(2)15-22-23(20-3,21-4)13-9-12-18;/h5-8,10-11,16H,1,9,12-15,18H2,2-4H3;1H
InChIKeyBXFQJSVXDZXHCO-UHFFFAOYSA-N
XLogP3.04
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.99
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
CID 140645888
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
N-benzyl-N-ethenylpropan-2-amine
CID 67948019
N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
CID 141259839
methanol;toluene;3-trimethoxysilylpropan-1-amine
CID 174567080
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
2-benzylbut-3-ene-1,2-diamine;trimethoxy(propyl)silane
CID 66713657
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
3-[methoxy-bis(2-prop-2-enylphenoxy)silyl]propan-1-amine
CID 67738163

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride (CID 140986490) is 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride is C=CN(Cc1ccccc1)C(C)CO[Si](CCCN)(OC)OC.Cl.
What is the InChIKey of 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride?
The InChIKey is BXFQJSVXDZXHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si.ClH/c1-5-19(14-17-10-7-6-8-11-17)16(2)15-22-23(20-3,21-4)13-9-12-18;/h5-8,10-11,16H,1,9,12-15,18H2,2-4H3;1H.
What are the key properties of 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride?
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride has a molecular weight of 374.99 g/mol, XLogP of 3.04, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 140986490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).