(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine

C12H21N3 — CID 134406064

IUPAC(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
SMILESC/C=C/C/C=C(\C=N\C)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-3-4-5-6-12(11-13-2)15-9-7-14-8-10-15/h3-4,6,11,14H,5,7-10H2,1-2H3/b4-3+,12-6+,13-11+
InChIKeyJBFOUKLIHSJWLS-FDAXOMGGSA-N
MW207.32 g/mol
LogP1.44
Rot. Bonds4

About (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine

(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine (PubChem CID 134406064) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine.

Molecular Properties

Compound Name(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
PubChem CID134406064
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
SMILESC/C=C/C/C=C(\C=N\C)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-3-4-5-6-12(11-13-2)15-9-7-14-8-10-15/h3-4,6,11,14H,5,7-10H2,1-2H3/b4-3+,12-6+,13-11+
InChIKeyJBFOUKLIHSJWLS-FDAXOMGGSA-N
XLogP1.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine with MolForge

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Related Compounds

(E)-4-fluoro-N-[(Z)-1-piperazin-1-ylprop-1-en-2-yl]pent-3-en-2-imine
CID 123842165
5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
2-Piperazin-1-ylbut-2-en-1-imine
CID 123781310
(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
CID 123800549
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
CID 134355345
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
CID 134406002
7-methyl-4-piperazin-1-yl-3H-azepine
CID 134406025
N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine
CID 134406029

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine?
The IUPAC name of (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine (CID 134406064) is (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine.
What is the SMILES notation for (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine?
The canonical SMILES for (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine is C/C=C/C/C=C(\C=N\C)N1CCNCC1.
What is the InChIKey of (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine?
The InChIKey is JBFOUKLIHSJWLS-FDAXOMGGSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-6-12(11-13-2)15-9-7-14-8-10-15/h3-4,6,11,14H,5,7-10H2,1-2H3/b4-3+,12-6+,13-11+.
What are the key properties of (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine?
(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine is sourced from PubChem (CID 134406064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).