3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride

C17H31ClN2O3Si — CID 141374135

IUPAC3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride
SMILESC=CNCCC[Si](OC)(OC)OC(CCN)Cc1ccccc1.Cl
InChIInChI=1S/C17H30N2O3Si.ClH/c1-4-19-13-8-14-23(20-2,21-3)22-17(11-12-18)15-16-9-6-5-7-10-16;/h4-7,9-10,17,19H,1,8,11-15,18H2,2-3H3;1H
InChIKeyACAZETZQOYMARV-UHFFFAOYSA-N
MW374.99 g/mol
LogP2.74
Rot. Bonds13

About 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride

3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride (PubChem CID 141374135) has the molecular formula C17H31ClN2O3Si and a molecular weight of 374.99 g/mol. Its IUPAC name is 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride
PubChem CID141374135
Molecular FormulaC17H31ClN2O3Si
Molecular Weight374.99 g/mol
Exact Mass374.18
IUPAC Name3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride
SMILESC=CNCCC[Si](OC)(OC)OC(CCN)Cc1ccccc1.Cl
InChIInChI=1S/C17H30N2O3Si.ClH/c1-4-19-13-8-14-23(20-2,21-3)22-17(11-12-18)15-16-9-6-5-7-10-16;/h4-7,9-10,17,19H,1,8,11-15,18H2,2-3H3;1H
InChIKeyACAZETZQOYMARV-UHFFFAOYSA-N
XLogP2.74
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.99
LogP ≤ 52.74
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'}

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Related Compounds

3-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpent-4-en-1-amine
CID 68631769
3-[3-(ethenylamino)propyl-diethoxysilyl]oxy-3-methyl-4-phenylbutan-1-amine;hydrochloride
CID 167430995
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride
CID 140986490
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
CID 88666500
N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine
CID 99738332
N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
CID 141259839
CID 165388786
CID 165388786
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
CID 140645888
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
CID 19877439

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride?
The IUPAC name of 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride (CID 141374135) is 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride.
What is the SMILES notation for 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride?
The canonical SMILES for 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride is C=CNCCC[Si](OC)(OC)OC(CCN)Cc1ccccc1.Cl.
What is the InChIKey of 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride?
The InChIKey is ACAZETZQOYMARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si.ClH/c1-4-19-13-8-14-23(20-2,21-3)22-17(11-12-18)15-16-9-6-5-7-10-16;/h4-7,9-10,17,19H,1,8,11-15,18H2,2-3H3;1H.
What are the key properties of 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride?
3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride has a molecular weight of 374.99 g/mol, XLogP of 2.74, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethenylamino)propyl-dimethoxysilyl]oxy-4-phenylbutan-1-amine;hydrochloride is sourced from PubChem (CID 141374135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).