2-(2-iminoethylideneamino)ethanamine

C4H9N3 — CID 21270808

IUPAC2-(2-iminoethylideneamino)ethanamine
SMILES[H]/N=C/C=N/CCN
InChIInChI=1S/C4H9N3/c5-1-3-7-4-2-6/h1,3,5H,2,4,6H2/b5-1+,7-3+
InChIKeyHGFQLJFBTMNHQX-JGOQQPJWSA-N
MW99.14 g/mol
LogP-0.33
Rot. Bonds3

About 2-(2-iminoethylideneamino)ethanamine

2-(2-iminoethylideneamino)ethanamine (PubChem CID 21270808) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 2-(2-iminoethylideneamino)ethanamine.

Molecular Properties

Compound Name2-(2-iminoethylideneamino)ethanamine
PubChem CID21270808
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name2-(2-iminoethylideneamino)ethanamine
SMILES[H]/N=C/C=N/CCN
InChIInChI=1S/C4H9N3/c5-1-3-7-4-2-6/h1,3,5H,2,4,6H2/b5-1+,7-3+
InChIKeyHGFQLJFBTMNHQX-JGOQQPJWSA-N
XLogP-0.33
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iminoethylideneamino)ethanamine?
The IUPAC name of 2-(2-iminoethylideneamino)ethanamine (CID 21270808) is 2-(2-iminoethylideneamino)ethanamine.
What is the SMILES notation for 2-(2-iminoethylideneamino)ethanamine?
The canonical SMILES for 2-(2-iminoethylideneamino)ethanamine is [H]/N=C/C=N/CCN.
What is the InChIKey of 2-(2-iminoethylideneamino)ethanamine?
The InChIKey is HGFQLJFBTMNHQX-JGOQQPJWSA-N. The full InChI is InChI=1S/C4H9N3/c5-1-3-7-4-2-6/h1,3,5H,2,4,6H2/b5-1+,7-3+.
What are the key properties of 2-(2-iminoethylideneamino)ethanamine?
2-(2-iminoethylideneamino)ethanamine has a molecular weight of 99.14 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminoethylideneamino)ethanamine is sourced from PubChem (CID 21270808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).