(E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine

C7H13N3 — CID 126599262

IUPAC(E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine
SMILES[H]/N=C(C)/C(N)=C(C)\N=C\C
InChIInChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4,8H,9H2,1-3H3/b7-6+,8-5+,10-4+
InChIKeyVGGXYJSIZPODST-AMXUQWOLSA-N
MW139.20 g/mol
LogP1.31
Rot. Bonds2

About (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine

(E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine (PubChem CID 126599262) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine.

Molecular Properties

Compound Name(E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine
PubChem CID126599262
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine
SMILES[H]/N=C(C)/C(N)=C(C)\N=C\C
InChIInChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4,8H,9H2,1-3H3/b7-6+,8-5+,10-4+
InChIKeyVGGXYJSIZPODST-AMXUQWOLSA-N
XLogP1.31
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.31
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 (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine?
The IUPAC name of (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine (CID 126599262) is (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine.
What is the SMILES notation for (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine?
The canonical SMILES for (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine is [H]/N=C(C)/C(N)=C(C)\N=C\C.
What is the InChIKey of (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine?
The InChIKey is VGGXYJSIZPODST-AMXUQWOLSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4,8H,9H2,1-3H3/b7-6+,8-5+,10-4+.
What are the key properties of (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine?
(E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethylideneamino)-4-iminopent-2-en-3-amine is sourced from PubChem (CID 126599262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).