(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine

C12H21N3 — CID 123359389

IUPAC(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
SMILES[H]/N=C(C=C)/C=C\C(C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h4-6,11,13H,1,7-10H2,2-3H3/b6-5-,13-12+
InChIKeyCYCNPAZWHDEMJF-RCXQYVMGSA-N
MW207.32 g/mol
LogP1.38
Rot. Bonds4

About (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine

(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine (PubChem CID 123359389) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
PubChem CID123359389
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
SMILES[H]/N=C(C=C)/C=C\C(C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h4-6,11,13H,1,7-10H2,2-3H3/b6-5-,13-12+
InChIKeyCYCNPAZWHDEMJF-RCXQYVMGSA-N
XLogP1.38
TPSA30.33 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-imino-N,N-dimethylcyclohexa-2,5-dien-1-amine
CID 59831278
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659
1-Methyl-4-pent-3-en-2-ylpiperazine
CID 90782198
7-Imino-3-(4-methylpiperazin-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 123179101
2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine
CID 123382111
(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
CID 123704792
(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
CID 123708264
5-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123715700
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
CID 123942337
N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
CID 123947681
4-(4-Methylpiperazin-1-yl)cyclohepta-2,6-dien-1-imine
CID 123966950

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine?
The IUPAC name of (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine (CID 123359389) is (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine is [H]/N=C(C=C)/C=C\C(C)N1CCN(C)CC1.
What is the InChIKey of (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine?
The InChIKey is CYCNPAZWHDEMJF-RCXQYVMGSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h4-6,11,13H,1,7-10H2,2-3H3/b6-5-,13-12+.
What are the key properties of (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine?
(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine has a molecular weight of 207.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine is sourced from PubChem (CID 123359389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).