(E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine

C6H15NO2Si — CID 87682808

IUPAC(E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine
SMILESCC[Si](O)(O)C/C=C/CN
InChIInChI=1S/C6H15NO2Si/c1-2-10(8,9)6-4-3-5-7/h3-4,8-9H,2,5-7H2,1H3/b4-3+
InChIKeyJGCAMFSISYSUGI-ONEGZZNKSA-N
MW161.28 g/mol
LogP-0.05
Rot. Bonds4

About (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine

(E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine (PubChem CID 87682808) has the molecular formula C6H15NO2Si and a molecular weight of 161.28 g/mol. Its IUPAC name is (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine
PubChem CID87682808
Molecular FormulaC6H15NO2Si
Molecular Weight161.28 g/mol
Exact Mass161.09
IUPAC Name(E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine
SMILESCC[Si](O)(O)C/C=C/CN
InChIInChI=1S/C6H15NO2Si/c1-2-10(8,9)6-4-3-5-7/h3-4,8-9H,2,5-7H2,1H3/b4-3+
InChIKeyJGCAMFSISYSUGI-ONEGZZNKSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine?
The IUPAC name of (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine (CID 87682808) is (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine.
What is the SMILES notation for (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine?
The canonical SMILES for (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine is CC[Si](O)(O)C/C=C/CN.
What is the InChIKey of (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine?
The InChIKey is JGCAMFSISYSUGI-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H15NO2Si/c1-2-10(8,9)6-4-3-5-7/h3-4,8-9H,2,5-7H2,1H3/b4-3+.
What are the key properties of (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine?
(E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine has a molecular weight of 161.28 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine is sourced from PubChem (CID 87682808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).