5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine

C15H34N2O3Si — CID 175178932

IUPAC5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine
SMILESCCO[Si](CCCN)(OCC)OC(C)=CCCCN(C)C
InChIInChI=1S/C15H34N2O3Si/c1-6-18-21(19-7-2,14-10-12-16)20-15(3)11-8-9-13-17(4)5/h11H,6-10,12-14,16H2,1-5H3
InChIKeyLEWIQTXBCGUUSW-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.61
Rot. Bonds13

About 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine

5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine (PubChem CID 175178932) has the molecular formula C15H34N2O3Si and a molecular weight of 318.53 g/mol. Its IUPAC name is 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Name5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine
PubChem CID175178932
Molecular FormulaC15H34N2O3Si
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine
SMILESCCO[Si](CCCN)(OCC)OC(C)=CCCCN(C)C
InChIInChI=1S/C15H34N2O3Si/c1-6-18-21(19-7-2,14-10-12-16)20-15(3)11-8-9-13-17(4)5/h11H,6-10,12-14,16H2,1-5H3
InChIKeyLEWIQTXBCGUUSW-UHFFFAOYSA-N
XLogP2.61
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine?
The IUPAC name of 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine (CID 175178932) is 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine.
What is the SMILES notation for 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine?
The canonical SMILES for 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine is CCO[Si](CCCN)(OCC)OC(C)=CCCCN(C)C.
What is the InChIKey of 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine?
The InChIKey is LEWIQTXBCGUUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O3Si/c1-6-18-21(19-7-2,14-10-12-16)20-15(3)11-8-9-13-17(4)5/h11H,6-10,12-14,16H2,1-5H3.
What are the key properties of 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine?
5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine has a molecular weight of 318.53 g/mol, XLogP of 2.61, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-aminopropyl(diethoxy)silyl]oxy-N,N-dimethylhex-4-en-1-amine is sourced from PubChem (CID 175178932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).