1-(ethylideneamino)but-2-ene-1,1-diamine

C6H13N3 — CID 141061060

IUPAC1-(ethylideneamino)but-2-ene-1,1-diamine
SMILESCC=CC(N)(N)N=CC
InChIInChI=1S/C6H13N3/c1-3-5-6(7,8)9-4-2/h3-5H,7-8H2,1-2H3
InChIKeyVBQXSEYYUDGLAO-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds2

About 1-(ethylideneamino)but-2-ene-1,1-diamine

1-(ethylideneamino)but-2-ene-1,1-diamine (PubChem CID 141061060) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(ethylideneamino)but-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-(ethylideneamino)but-2-ene-1,1-diamine
PubChem CID141061060
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-(ethylideneamino)but-2-ene-1,1-diamine
SMILESCC=CC(N)(N)N=CC
InChIInChI=1S/C6H13N3/c1-3-5-6(7,8)9-4-2/h3-5H,7-8H2,1-2H3
InChIKeyVBQXSEYYUDGLAO-UHFFFAOYSA-N
XLogP0.22
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.22
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylideneamino)but-2-ene-1,1-diamine?
The IUPAC name of 1-(ethylideneamino)but-2-ene-1,1-diamine (CID 141061060) is 1-(ethylideneamino)but-2-ene-1,1-diamine.
What is the SMILES notation for 1-(ethylideneamino)but-2-ene-1,1-diamine?
The canonical SMILES for 1-(ethylideneamino)but-2-ene-1,1-diamine is CC=CC(N)(N)N=CC.
What is the InChIKey of 1-(ethylideneamino)but-2-ene-1,1-diamine?
The InChIKey is VBQXSEYYUDGLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-5-6(7,8)9-4-2/h3-5H,7-8H2,1-2H3.
What are the key properties of 1-(ethylideneamino)but-2-ene-1,1-diamine?
1-(ethylideneamino)but-2-ene-1,1-diamine has a molecular weight of 127.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)but-2-ene-1,1-diamine is sourced from PubChem (CID 141061060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).