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

C6H16N2O2Si — CID 87683215

IUPAC(E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine
SMILESNC/C=C/C[Si](O)(O)CCN
InChIInChI=1S/C6H16N2O2Si/c7-3-1-2-5-11(9,10)6-4-8/h1-2,9-10H,3-8H2/b2-1+
InChIKeyABCCTHJJWIMKNM-OWOJBTEDSA-N
MW176.29 g/mol
LogP-1.11
Rot. Bonds5

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

(E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine (PubChem CID 87683215) has the molecular formula C6H16N2O2Si and a molecular weight of 176.29 g/mol. Its IUPAC name is (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine
PubChem CID87683215
Molecular FormulaC6H16N2O2Si
Molecular Weight176.29 g/mol
Exact Mass176.10
IUPAC Name(E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine
SMILESNC/C=C/C[Si](O)(O)CCN
InChIInChI=1S/C6H16N2O2Si/c7-3-1-2-5-11(9,10)6-4-8/h1-2,9-10H,3-8H2/b2-1+
InChIKeyABCCTHJJWIMKNM-OWOJBTEDSA-N
XLogP-1.11
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[[[[(E)-3-aminoprop-1-enyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]prop-2-en-1-amine
CID 59217464
3-[[[3-Aminoprop-1-enyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]prop-2-en-1-amine
CID 72533535
(E)-6-[2-aminoethyl(dihydroxy)silyl]hex-3-en-1-amine
CID 87682466
(E)-4-[ethyl(dihydroxy)silyl]but-2-en-1-amine
CID 87682808
2-[Dihydroxy(prop-2-enyl)silyl]ethanamine
CID 87683262
N-[[dihydroxy(propyl)silyl]methyl]prop-2-en-1-amine
CID 87683429
(E)-4-trihydroxysilylbut-2-en-1-amine
CID 87685667
1-Trihydroxysilylprop-2-en-1-amine
CID 87830334
6-[2-Aminoethyl(dihydroxy)silyl]hex-3-en-1-amine
CID 90699584
1-[Dihydroxy(prop-2-enyl)silyl]ethanamine
CID 90713386
4-Trihydroxysilylbut-2-en-1-amine
CID 90970376
3-[[[3-Aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;prop-2-en-1-amine
CID 91148260

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine?
The IUPAC name of (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine (CID 87683215) is (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine.
What is the SMILES notation for (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine?
The canonical SMILES for (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine is NC/C=C/C[Si](O)(O)CCN.
What is the InChIKey of (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine?
The InChIKey is ABCCTHJJWIMKNM-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H16N2O2Si/c7-3-1-2-5-11(9,10)6-4-8/h1-2,9-10H,3-8H2/b2-1+.
What are the key properties of (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine?
(E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine has a molecular weight of 176.29 g/mol, XLogP of -1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-aminoethyl(dihydroxy)silyl]but-2-en-1-amine is sourced from PubChem (CID 87683215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).