4-ethenyliminopent-2-ene-2,3-diamine

C7H13N3 — CID 152822158

IUPAC4-ethenyliminopent-2-ene-2,3-diamine
SMILESC=C/N=C(\C)C(N)=C(C)N
InChIInChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4H,1,8-9H2,2-3H3/b7-5?,10-6+
InChIKeyNGRSQGXIVRCECP-DZZONASISA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds2

About 4-ethenyliminopent-2-ene-2,3-diamine

4-ethenyliminopent-2-ene-2,3-diamine (PubChem CID 152822158) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethenyliminopent-2-ene-2,3-diamine.

Molecular Properties

Compound Name4-ethenyliminopent-2-ene-2,3-diamine
PubChem CID152822158
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-ethenyliminopent-2-ene-2,3-diamine
SMILESC=C/N=C(\C)C(N)=C(C)N
InChIInChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4H,1,8-9H2,2-3H3/b7-5?,10-6+
InChIKeyNGRSQGXIVRCECP-DZZONASISA-N
XLogP0.74
TPSA64.40 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 ≤ 50.74
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 4-ethenyliminopent-2-ene-2,3-diamine?
The IUPAC name of 4-ethenyliminopent-2-ene-2,3-diamine (CID 152822158) is 4-ethenyliminopent-2-ene-2,3-diamine.
What is the SMILES notation for 4-ethenyliminopent-2-ene-2,3-diamine?
The canonical SMILES for 4-ethenyliminopent-2-ene-2,3-diamine is C=C/N=C(\C)C(N)=C(C)N.
What is the InChIKey of 4-ethenyliminopent-2-ene-2,3-diamine?
The InChIKey is NGRSQGXIVRCECP-DZZONASISA-N. The full InChI is InChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4H,1,8-9H2,2-3H3/b7-5?,10-6+.
What are the key properties of 4-ethenyliminopent-2-ene-2,3-diamine?
4-ethenyliminopent-2-ene-2,3-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyliminopent-2-ene-2,3-diamine is sourced from PubChem (CID 152822158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).