ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine

C15H31N3 — CID 143872817

IUPACethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
SMILESC/C=C\C=C(/N=C\C)N1CCNCC1.CC.CC
InChIInChI=1S/C11H19N3.2C2H6/c1-3-5-6-11(13-4-2)14-9-7-12-8-10-14;2*1-2/h3-6,12H,7-10H2,1-2H3;2*1-2H3/b5-3-,11-6+,13-4-;;
InChIKeyRWRMKXSTUOSUIP-LFCMIVJNSA-N
MW253.43 g/mol
LogP3.45
Rot. Bonds3

About ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine

ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine (PubChem CID 143872817) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Nameethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
PubChem CID143872817
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Nameethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
SMILESC/C=C\C=C(/N=C\C)N1CCNCC1.CC.CC
InChIInChI=1S/C11H19N3.2C2H6/c1-3-5-6-11(13-4-2)14-9-7-12-8-10-14;2*1-2/h3-6,12H,7-10H2,1-2H3;2*1-2H3/b5-3-,11-6+,13-4-;;
InChIKeyRWRMKXSTUOSUIP-LFCMIVJNSA-N
XLogP3.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.45
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

N-[(1Z,3E)-4-fluoro-1-piperazin-1-ylpenta-1,3-dienyl]methanimine
CID 144179587
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine
CID 89109784
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
N-(1-piperazin-1-ylbuta-1,3-dienyl)methanimine
CID 123221318
N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
CID 134406298
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylpenta-1,3-dien-1-amine
CID 134406633
(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine
CID 134406692
Ethane;2-piperazin-1-yl-1,2-dihydropyrimidine
CID 141777158
(Z,Z)-2-methyl-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine;propane
CID 141979646
(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine
CID 142137280
methane;(2E)-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 142175146

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine?
The IUPAC name of ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine (CID 143872817) is ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine.
What is the SMILES notation for ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine?
The canonical SMILES for ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine is C/C=C\C=C(/N=C\C)N1CCNCC1.CC.CC.
What is the InChIKey of ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine?
The InChIKey is RWRMKXSTUOSUIP-LFCMIVJNSA-N. The full InChI is InChI=1S/C11H19N3.2C2H6/c1-3-5-6-11(13-4-2)14-9-7-12-8-10-14;2*1-2/h3-6,12H,7-10H2,1-2H3;2*1-2H3/b5-3-,11-6+,13-4-;;.
What are the key properties of ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine?
ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine has a molecular weight of 253.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine is sourced from PubChem (CID 143872817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).