(Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine

C10H19N3 — CID 176922510

IUPAC(Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine
SMILES[H]/N=C(\C=C(\C)CC)N1CCNCC1
InChIInChI=1S/C10H19N3/c1-3-9(2)8-10(11)13-6-4-12-5-7-13/h8,11-12H,3-7H2,1-2H3/b9-8-,11-10+
InChIKeyQZIQTYRTNCBANL-QNRZBPGKSA-N
MW181.28 g/mol
LogP1.23
Rot. Bonds2

About (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine

(Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine (PubChem CID 176922510) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine
PubChem CID176922510
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine
SMILES[H]/N=C(\C=C(\C)CC)N1CCNCC1
InChIInChI=1S/C10H19N3/c1-3-9(2)8-10(11)13-6-4-12-5-7-13/h8,11-12H,3-7H2,1-2H3/b9-8-,11-10+
InChIKeyQZIQTYRTNCBANL-QNRZBPGKSA-N
XLogP1.23
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine 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-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The IUPAC name of (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine (CID 176922510) is (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine.
What is the SMILES notation for (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The canonical SMILES for (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine is [H]/N=C(\C=C(\C)CC)N1CCNCC1.
What is the InChIKey of (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The InChIKey is QZIQTYRTNCBANL-QNRZBPGKSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-9(2)8-10(11)13-6-4-12-5-7-13/h8,11-12H,3-7H2,1-2H3/b9-8-,11-10+.
What are the key properties of (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine?
(Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-1-piperazin-1-ylpent-2-en-1-imine is sourced from PubChem (CID 176922510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).