(2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine

C11H19N3 — CID 118102418

IUPAC(2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine
SMILES[H]/N=C(C(\C)=C/C=C\C)/N1CCNCC1
InChIInChI=1S/C11H19N3/c1-3-4-5-10(2)11(12)14-8-6-13-7-9-14/h3-5,12-13H,6-9H2,1-2H3/b4-3-,10-5-,12-11+
InChIKeyBYQKLMDESRJIHO-JZFASMCCSA-N
MW193.29 g/mol
LogP1.39
Rot. Bonds2

About (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine

(2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine (PubChem CID 118102418) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine
PubChem CID118102418
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine
SMILES[H]/N=C(C(\C)=C/C=C\C)/N1CCNCC1
InChIInChI=1S/C11H19N3/c1-3-4-5-10(2)11(12)14-8-6-13-7-9-14/h3-5,12-13H,6-9H2,1-2H3/b4-3-,10-5-,12-11+
InChIKeyBYQKLMDESRJIHO-JZFASMCCSA-N
XLogP1.39
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.39
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine (CID 118102418) is (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine is [H]/N=C(C(\C)=C/C=C\C)/N1CCNCC1.
What is the InChIKey of (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine?
The InChIKey is BYQKLMDESRJIHO-JZFASMCCSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-4-5-10(2)11(12)14-8-6-13-7-9-14/h3-5,12-13H,6-9H2,1-2H3/b4-3-,10-5-,12-11+.
What are the key properties of (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine?
(2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine has a molecular weight of 193.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-methyl-1-piperazin-1-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 118102418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).