(Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine

C12H23N3 — CID 131995960

IUPAC(Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine
SMILES[H]/N=C(C(/C)=C\C(C)(C)C)\N1CCNCC1
InChIInChI=1S/C12H23N3/c1-10(9-12(2,3)4)11(13)15-7-5-14-6-8-15/h9,13-14H,5-8H2,1-4H3/b10-9-,13-11-
InChIKeyPRSYZWHCSWWNDY-ZRQQEUPBSA-N
MW209.34 g/mol
LogP1.86
Rot. Bonds1

About (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine

(Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine (PubChem CID 131995960) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine
PubChem CID131995960
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine
SMILES[H]/N=C(C(/C)=C\C(C)(C)C)\N1CCNCC1
InChIInChI=1S/C12H23N3/c1-10(9-12(2,3)4)11(13)15-7-5-14-6-8-15/h9,13-14H,5-8H2,1-4H3/b10-9-,13-11-
InChIKeyPRSYZWHCSWWNDY-ZRQQEUPBSA-N
XLogP1.86
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.86
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine?
The IUPAC name of (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine (CID 131995960) is (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine.
What is the SMILES notation for (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine?
The canonical SMILES for (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine is [H]/N=C(C(/C)=C\C(C)(C)C)\N1CCNCC1.
What is the InChIKey of (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine?
The InChIKey is PRSYZWHCSWWNDY-ZRQQEUPBSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(9-12(2,3)4)11(13)15-7-5-14-6-8-15/h9,13-14H,5-8H2,1-4H3/b10-9-,13-11-.
What are the key properties of (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine?
(Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine has a molecular weight of 209.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,4-trimethyl-1-piperazin-1-ylpent-2-en-1-imine is sourced from PubChem (CID 131995960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).