(E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine

C6H11N3 — CID 126593423

IUPAC(E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine
SMILES[H]/N=C(C)/C(N)=C\N=C\C
InChIInChI=1S/C6H11N3/c1-3-9-4-6(8)5(2)7/h3-4,7H,8H2,1-2H3/b6-4+,7-5+,9-3+
InChIKeyHTIQPQCIDHWEFL-YBDDOWTGSA-N
MW125.17 g/mol
LogP0.92
Rot. Bonds2

About (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine

(E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine (PubChem CID 126593423) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine
PubChem CID126593423
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine
SMILES[H]/N=C(C)/C(N)=C\N=C\C
InChIInChI=1S/C6H11N3/c1-3-9-4-6(8)5(2)7/h3-4,7H,8H2,1-2H3/b6-4+,7-5+,9-3+
InChIKeyHTIQPQCIDHWEFL-YBDDOWTGSA-N
XLogP0.92
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine?
The IUPAC name of (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine (CID 126593423) is (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine.
What is the SMILES notation for (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine?
The canonical SMILES for (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine is [H]/N=C(C)/C(N)=C\N=C\C.
What is the InChIKey of (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine?
The InChIKey is HTIQPQCIDHWEFL-YBDDOWTGSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-9-4-6(8)5(2)7/h3-4,7H,8H2,1-2H3/b6-4+,7-5+,9-3+.
What are the key properties of (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine?
(E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine has a molecular weight of 125.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(ethylideneamino)-3-iminobut-1-en-2-amine is sourced from PubChem (CID 126593423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).