2-(methoxyboranylideneamino)ethanamine

C3H9BN2O — CID 58306021

IUPAC2-(methoxyboranylideneamino)ethanamine
SMILESCO/B=N/CCN
InChIInChI=1S/C3H9BN2O/c1-7-4-6-3-2-5/h2-3,5H2,1H3
InChIKeyPXKASZZUWYDKHC-UHFFFAOYSA-N
MW99.93 g/mol
LogP-0.61
Rot. Bonds3

About 2-(methoxyboranylideneamino)ethanamine

2-(methoxyboranylideneamino)ethanamine (PubChem CID 58306021) has the molecular formula C3H9BN2O and a molecular weight of 99.93 g/mol. Its IUPAC name is 2-(methoxyboranylideneamino)ethanamine.

Molecular Properties

Compound Name2-(methoxyboranylideneamino)ethanamine
PubChem CID58306021
Molecular FormulaC3H9BN2O
Molecular Weight99.93 g/mol
Exact Mass100.08
IUPAC Name2-(methoxyboranylideneamino)ethanamine
SMILESCO/B=N/CCN
InChIInChI=1S/C3H9BN2O/c1-7-4-6-3-2-5/h2-3,5H2,1H3
InChIKeyPXKASZZUWYDKHC-UHFFFAOYSA-N
XLogP-0.61
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.93
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxyboranylideneamino)ethanamine?
The IUPAC name of 2-(methoxyboranylideneamino)ethanamine (CID 58306021) is 2-(methoxyboranylideneamino)ethanamine.
What is the SMILES notation for 2-(methoxyboranylideneamino)ethanamine?
The canonical SMILES for 2-(methoxyboranylideneamino)ethanamine is CO/B=N/CCN.
What is the InChIKey of 2-(methoxyboranylideneamino)ethanamine?
The InChIKey is PXKASZZUWYDKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9BN2O/c1-7-4-6-3-2-5/h2-3,5H2,1H3.
What are the key properties of 2-(methoxyboranylideneamino)ethanamine?
2-(methoxyboranylideneamino)ethanamine has a molecular weight of 99.93 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyboranylideneamino)ethanamine is sourced from PubChem (CID 58306021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).