(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine

C11H19N3 — CID 123708264

IUPAC(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(\C=C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-11(9-10(2)12)14-7-5-13(3)6-8-14/h4,9,12H,1,5-8H2,2-3H3/b11-9+,12-10+
InChIKeyQCWWQJOOUSQXRR-WGDLNXRISA-N
MW193.29 g/mol
LogP1.34
Rot. Bonds3

About (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine

(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine (PubChem CID 123708264) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
PubChem CID123708264
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(\C=C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-11(9-10(2)12)14-7-5-13(3)6-8-14/h4,9,12H,1,5-8H2,2-3H3/b11-9+,12-10+
InChIKeyQCWWQJOOUSQXRR-WGDLNXRISA-N
XLogP1.34
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
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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Related Compounds

(3Z,5E)-6-(4-ethylpiperazin-1-yl)-2-fluoro-2-methylocta-3,5,7-trien-3-amine
CID 143961810
4-(4-Methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride
CID 91332538
(2Z,4E)-6-imino-N,N-dimethylhepta-2,4-dien-4-amine
CID 117718958
N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-propylethane-1,2-diamine
CID 117908132
N'-[(3Z)-5-iminohexa-1,3-dien-2-yl]-N-propylethane-1,2-diamine
CID 118146500
7-Imino-3-(4-methylpiperazin-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 123179101
(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
CID 123359389
(3Z)-5-(4-methyl-1,4-diazepan-1-yl)hepta-3,5-dien-2-imine
CID 123398474
(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
CID 123420725
1-Hepta-2,4-dien-4-ylpiperazine
CID 123513416
(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
CID 123704792
(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
CID 123714224

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine?
The IUPAC name of (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine (CID 123708264) is (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine is [H]/N=C(C)/C=C(\C=C)N1CCN(C)CC1.
What is the InChIKey of (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine?
The InChIKey is QCWWQJOOUSQXRR-WGDLNXRISA-N. The full InChI is InChI=1S/C11H19N3/c1-4-11(9-10(2)12)14-7-5-13(3)6-8-14/h4,9,12H,1,5-8H2,2-3H3/b11-9+,12-10+.
What are the key properties of (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine?
(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine has a molecular weight of 193.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine is sourced from PubChem (CID 123708264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).