3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine

C18H34N2O3Si — CID 175434467

IUPAC3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine
SMILESCCO[Si](CCCN)(OCC)OC(N)(CC)CCc1ccccc1
InChIInChI=1S/C18H34N2O3Si/c1-4-18(20,14-13-17-11-8-7-9-12-17)23-24(21-5-2,22-6-3)16-10-15-19/h7-9,11-12H,4-6,10,13-16,19-20H2,1-3H3
InChIKeyZQVYSKNSCYWECI-UHFFFAOYSA-N
MW354.57 g/mol
LogP3.06
Rot. Bonds13

About 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine

3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine (PubChem CID 175434467) has the molecular formula C18H34N2O3Si and a molecular weight of 354.57 g/mol. Its IUPAC name is 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine.

Molecular Properties

Compound Name3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine
PubChem CID175434467
Molecular FormulaC18H34N2O3Si
Molecular Weight354.57 g/mol
Exact Mass354.23
IUPAC Name3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine
SMILESCCO[Si](CCCN)(OCC)OC(N)(CC)CCc1ccccc1
InChIInChI=1S/C18H34N2O3Si/c1-4-18(20,14-13-17-11-8-7-9-12-17)23-24(21-5-2,22-6-3)16-10-15-19/h7-9,11-12H,4-6,10,13-16,19-20H2,1-3H3
InChIKeyZQVYSKNSCYWECI-UHFFFAOYSA-N
XLogP3.06
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine
CID 175434469
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
benzyl-diethoxy-(3-phenylpropoxy)silane
CID 67542765
triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane
CID 175604345
3-[3-(ethenylamino)propyl-diethoxysilyl]oxy-3-methyl-4-phenylbutan-1-amine;hydrochloride
CID 167430995
3-phenylpropan-1-amine;propane
CID 70273467
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
[diethoxy(2-phenylethoxy)silyl]methanethiol
CID 141358316
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
benzene;3-phenylpropan-1-amine
CID 174865683
3-benzyl-4-methyl-4-(triethoxysilylmethyl)docosan-3-amine
CID 54176427
3-[1-[dimethyl(phenyl)silyl]ethoxy-ethoxy-methylsilyl]propan-1-amine
CID 175152153

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine?
The IUPAC name of 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine (CID 175434467) is 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine.
What is the SMILES notation for 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine?
The canonical SMILES for 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine is CCO[Si](CCCN)(OCC)OC(N)(CC)CCc1ccccc1.
What is the InChIKey of 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine?
The InChIKey is ZQVYSKNSCYWECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3Si/c1-4-18(20,14-13-17-11-8-7-9-12-17)23-24(21-5-2,22-6-3)16-10-15-19/h7-9,11-12H,4-6,10,13-16,19-20H2,1-3H3.
What are the key properties of 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine?
3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine has a molecular weight of 354.57 g/mol, XLogP of 3.06, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine is sourced from PubChem (CID 175434467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).