ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine

C17H33N3 — CID 142132350

IUPACethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine
SMILESCC.CC.[H]/N=C(\C)N1CCN(/C(C=C)=C/C=C\C)CC1
InChIInChI=1S/C13H21N3.2C2H6/c1-4-6-7-13(5-2)16-10-8-15(9-11-16)12(3)14;2*1-2/h4-7,14H,2,8-11H2,1,3H3;2*1-2H3/b6-4-,13-7+,14-12+;;
InChIKeyUKIJETUBBOTGDB-AIJHDVRHSA-N
MW279.47 g/mol
LogP4.30
Rot. Bonds3

About ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine

ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine (PubChem CID 142132350) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine.

Molecular Properties

Compound Nameethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine
PubChem CID142132350
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Nameethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine
SMILESCC.CC.[H]/N=C(\C)N1CCN(/C(C=C)=C/C=C\C)CC1
InChIInChI=1S/C13H21N3.2C2H6/c1-4-6-7-13(5-2)16-10-8-15(9-11-16)12(3)14;2*1-2/h4-7,14H,2,8-11H2,1,3H3;2*1-2H3/b6-4-,13-7+,14-12+;;
InChIKeyUKIJETUBBOTGDB-AIJHDVRHSA-N
XLogP4.30
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine with MolForge

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Related Compounds

(E)-4-imino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 68400036
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
1-[4-[(3E)-hexa-1,3,5-trien-3-yl]piperazin-1-yl]butan-1-imine
CID 143517293
1-Ethyl-6-methylpyridin-2-imine
CID 131858791
1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine
CID 142132351
(Z)-N-[(2E)-1-aminopenta-2,4-dien-2-yl]-N-methylbut-2-enimidamide
CID 144662023
(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
CID 176666314

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine?
The IUPAC name of ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine (CID 142132350) is ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine.
What is the SMILES notation for ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine?
The canonical SMILES for ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine is CC.CC.[H]/N=C(\C)N1CCN(/C(C=C)=C/C=C\C)CC1.
What is the InChIKey of ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine?
The InChIKey is UKIJETUBBOTGDB-AIJHDVRHSA-N. The full InChI is InChI=1S/C13H21N3.2C2H6/c1-4-6-7-13(5-2)16-10-8-15(9-11-16)12(3)14;2*1-2/h4-7,14H,2,8-11H2,1,3H3;2*1-2H3/b6-4-,13-7+,14-12+;;.
What are the key properties of ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine?
ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine has a molecular weight of 279.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine is sourced from PubChem (CID 142132350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).