(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine

C12H21N3 — CID 129043221

IUPAC(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine
SMILESC=C/C=C\C=N\CCN1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-3-4-5-6-13-7-8-15-11-9-14(2)10-12-15/h3-6H,1,7-12H2,2H3/b5-4-,13-6+
InChIKeyHJYSGVUEQNQLQN-VRPUZZSBSA-N
MW207.32 g/mol
LogP1.05
Rot. Bonds5

About (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine

(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine (PubChem CID 129043221) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine
PubChem CID129043221
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine
SMILESC=C/C=C\C=N\CCN1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-3-4-5-6-13-7-8-15-11-9-14(2)10-12-15/h3-6H,1,7-12H2,2H3/b5-4-,13-6+
InChIKeyHJYSGVUEQNQLQN-VRPUZZSBSA-N
XLogP1.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine (CID 129043221) is (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine is C=C/C=C\C=N\CCN1CCN(C)CC1.
What is the InChIKey of (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine?
The InChIKey is HJYSGVUEQNQLQN-VRPUZZSBSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-6-13-7-8-15-11-9-14(2)10-12-15/h3-6H,1,7-12H2,2H3/b5-4-,13-6+.
What are the key properties of (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine?
(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine is sourced from PubChem (CID 129043221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).