(2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine

C20H30N4 — CID 131995943

IUPAC(2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C)C(=C)N1CCN(C/C(C)=C\C(=C/N=C)CC)CC1
InChIInChI=1S/C20H30N4/c1-6-8-20(14-21)18(4)24-11-9-23(10-12-24)16-17(3)13-19(7-2)15-22-5/h6,8,13-15,21H,1,4-5,7,9-12,16H2,2-3H3/b17-13-,19-15-,20-8+,21-14+
InChIKeyUTFQSUHKNJMVLJ-XGSPOQQLSA-N
MW326.49 g/mol
LogP3.82
Rot. Bonds9

About (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine

(2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine (PubChem CID 131995943) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine
PubChem CID131995943
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name(2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C)C(=C)N1CCN(C/C(C)=C\C(=C/N=C)CC)CC1
InChIInChI=1S/C20H30N4/c1-6-8-20(14-21)18(4)24-11-9-23(10-12-24)16-17(3)13-19(7-2)15-22-5/h6,8,13-15,21H,1,4-5,7,9-12,16H2,2-3H3/b17-13-,19-15-,20-8+,21-14+
InChIKeyUTFQSUHKNJMVLJ-XGSPOQQLSA-N
XLogP3.82
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine (CID 131995943) is (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine is [H]/N=C/C(=C\C=C)C(=C)N1CCN(C/C(C)=C\C(=C/N=C)CC)CC1.
What is the InChIKey of (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine?
The InChIKey is UTFQSUHKNJMVLJ-XGSPOQQLSA-N. The full InChI is InChI=1S/C20H30N4/c1-6-8-20(14-21)18(4)24-11-9-23(10-12-24)16-17(3)13-19(7-2)15-22-5/h6,8,13-15,21H,1,4-5,7,9-12,16H2,2-3H3/b17-13-,19-15-,20-8+,21-14+.
What are the key properties of (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine?
(2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine has a molecular weight of 326.49 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-[4-[(Z,4Z)-2-methyl-4-[(methylideneamino)methylidene]hex-2-enyl]piperazin-1-yl]ethenyl]penta-2,4-dien-1-imine is sourced from PubChem (CID 131995943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).