1-[amino(ethyl)amino]ethanamine

C4H13N3 — CID 54377605

IUPAC1-[amino(ethyl)amino]ethanamine
SMILESCCN(N)C(C)N
InChIInChI=1S/C4H13N3/c1-3-7(6)4(2)5/h4H,3,5-6H2,1-2H3
InChIKeyUXQYKMWFJSTZDX-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.51
Rot. Bonds2

About 1-[amino(ethyl)amino]ethanamine

1-[amino(ethyl)amino]ethanamine (PubChem CID 54377605) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is 1-[amino(ethyl)amino]ethanamine.

Molecular Properties

Compound Name1-[amino(ethyl)amino]ethanamine
PubChem CID54377605
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Name1-[amino(ethyl)amino]ethanamine
SMILESCCN(N)C(C)N
InChIInChI=1S/C4H13N3/c1-3-7(6)4(2)5/h4H,3,5-6H2,1-2H3
InChIKeyUXQYKMWFJSTZDX-UHFFFAOYSA-N
XLogP-0.51
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(ethyl)amino]ethanamine?
The IUPAC name of 1-[amino(ethyl)amino]ethanamine (CID 54377605) is 1-[amino(ethyl)amino]ethanamine.
What is the SMILES notation for 1-[amino(ethyl)amino]ethanamine?
The canonical SMILES for 1-[amino(ethyl)amino]ethanamine is CCN(N)C(C)N.
What is the InChIKey of 1-[amino(ethyl)amino]ethanamine?
The InChIKey is UXQYKMWFJSTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-3-7(6)4(2)5/h4H,3,5-6H2,1-2H3.
What are the key properties of 1-[amino(ethyl)amino]ethanamine?
1-[amino(ethyl)amino]ethanamine has a molecular weight of 103.17 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(ethyl)amino]ethanamine is sourced from PubChem (CID 54377605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).