(Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine

C7H14N4 — CID 139356983

IUPAC(Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNCCN1
InChIInChI=1S/C7H14N4/c8-3-6(4-9)7-5-10-1-2-11-7/h3-4,7-8,10-11H,1-2,5,9H2/b6-4+,8-3+
InChIKeyITRYETDBINNOAL-APHNTDFBSA-N
MW154.22 g/mol
LogP-0.96
Rot. Bonds2

About (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine

(Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine (PubChem CID 139356983) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine
PubChem CID139356983
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNCCN1
InChIInChI=1S/C7H14N4/c8-3-6(4-9)7-5-10-1-2-11-7/h3-4,7-8,10-11H,1-2,5,9H2/b6-4+,8-3+
InChIKeyITRYETDBINNOAL-APHNTDFBSA-N
XLogP-0.96
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-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 (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine (CID 139356983) is (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine is [H]/N=C/C(=C\N)C1CNCCN1.
What is the InChIKey of (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine?
The InChIKey is ITRYETDBINNOAL-APHNTDFBSA-N. The full InChI is InChI=1S/C7H14N4/c8-3-6(4-9)7-5-10-1-2-11-7/h3-4,7-8,10-11H,1-2,5,9H2/b6-4+,8-3+.
What are the key properties of (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine?
(Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine has a molecular weight of 154.22 g/mol, XLogP of -0.96, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-piperazin-2-ylprop-1-en-1-amine is sourced from PubChem (CID 139356983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).