1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine

C6H12N2O3Si — CID 88787603

IUPAC1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine
SMILESC=CC(N)O[Si](=O)OC(N)C=C
InChIInChI=1S/C6H12N2O3Si/c1-3-5(7)10-12(9)11-6(8)4-2/h3-6H,1-2,7-8H2
InChIKeyAECKPEUCZFHLKX-UHFFFAOYSA-N
MW188.26 g/mol
LogP-0.62
Rot. Bonds6

About 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine

1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine (PubChem CID 88787603) has the molecular formula C6H12N2O3Si and a molecular weight of 188.26 g/mol. Its IUPAC name is 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine.

Molecular Properties

Compound Name1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine
PubChem CID88787603
Molecular FormulaC6H12N2O3Si
Molecular Weight188.26 g/mol
Exact Mass188.06
IUPAC Name1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine
SMILESC=CC(N)O[Si](=O)OC(N)C=C
InChIInChI=1S/C6H12N2O3Si/c1-3-5(7)10-12(9)11-6(8)4-2/h3-6H,1-2,7-8H2
InChIKeyAECKPEUCZFHLKX-UHFFFAOYSA-N
XLogP-0.62
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 5-0.62
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-aminoprop-2-enyl nitrate;nitric acid
CID 173387349
1-aminoprop-2-enyl 2-hydroxyacetate
CID 87104397
1-aminoprop-2-enoxyphosphonamidous acid
CID 87450954
1-[1-aminoprop-2-enoxy(1-aminoprop-2-enylsulfanyl)phosphoryl]oxyprop-2-en-1-amine
CID 87501494
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
[3-[1,3-di(prop-2-enoyloxy)propoxy-oxosilyl]oxy-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 141300049
prop-2-ene-1,1-diamine;titanium
CID 174369979
2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid
CID 88526263
CID 87563146
CID 87563146
(2S)-but-3-en-2-amine
CID 10034575
1-[1-hydroxyethoxy(oxo)silyl]oxyethanol
CID 21245488
4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine
CID 87501591

Frequently Asked Questions

What is the IUPAC name of 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine?
The IUPAC name of 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine (CID 88787603) is 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine.
What is the SMILES notation for 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine?
The canonical SMILES for 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine is C=CC(N)O[Si](=O)OC(N)C=C.
What is the InChIKey of 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine?
The InChIKey is AECKPEUCZFHLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3Si/c1-3-5(7)10-12(9)11-6(8)4-2/h3-6H,1-2,7-8H2.
What are the key properties of 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine?
1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine has a molecular weight of 188.26 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine is sourced from PubChem (CID 88787603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).