methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine

C10H19N3 — CID 142175146

IUPACmethane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine
SMILESC.[H]/N=C/C=C(\C=C)N1CCNCC1
InChIInChI=1S/C9H15N3.CH4/c1-2-9(3-4-10)12-7-5-11-6-8-12;/h2-4,10-11H,1,5-8H2;1H4/b9-3+,10-4+;
InChIKeyXNJGBTPYCNDDDR-RUACYTINSA-N
MW181.28 g/mol
LogP1.25
Rot. Bonds3

About methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine

methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine (PubChem CID 142175146) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Namemethane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine
PubChem CID142175146
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Namemethane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine
SMILESC.[H]/N=C/C=C(\C=C)N1CCNCC1
InChIInChI=1S/C9H15N3.CH4/c1-2-9(3-4-10)12-7-5-11-6-8-12;/h2-4,10-11H,1,5-8H2;1H4/b9-3+,10-4+;
InChIKeyXNJGBTPYCNDDDR-RUACYTINSA-N
XLogP1.25
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
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

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazine
CID 88286852
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine
CID 89117790
1-Hepta-1,3,5-trien-2-ylpiperazine
CID 90763085
4-(4-Methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride
CID 91332538
1-Penta-1,3-dien-3-ylpiperazine
CID 91375372
1-Hepta-1,3,5-trien-4-ylpiperazine
CID 91533548
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
1-Hepta-1,3,5-trien-3-ylpiperazine
CID 123183932
1-Hexa-1,3,5-trien-3-ylpiperazine
CID 123335605
3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
1-Hexa-2,4-dien-3-ylpiperazine
CID 123725509
2-Piperazin-1-ylbut-2-en-1-imine
CID 123781310

Frequently Asked Questions

What is the IUPAC name of methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine?
The IUPAC name of methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine (CID 142175146) is methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine?
The canonical SMILES for methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine is C.[H]/N=C/C=C(\C=C)N1CCNCC1.
What is the InChIKey of methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine?
The InChIKey is XNJGBTPYCNDDDR-RUACYTINSA-N. The full InChI is InChI=1S/C9H15N3.CH4/c1-2-9(3-4-10)12-7-5-11-6-8-12;/h2-4,10-11H,1,5-8H2;1H4/b9-3+,10-4+;.
What are the key properties of methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine?
methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine has a molecular weight of 181.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142175146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).