ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine

C13H29N3 — CID 143703268

IUPACethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine
SMILESC/C=N\C(=C/C)N1CCNCC1.CC.CC
InChIInChI=1S/C9H17N3.2C2H6/c1-3-9(11-4-2)12-7-5-10-6-8-12;2*1-2/h3-4,10H,5-8H2,1-2H3;2*1-2H3/b9-3+,11-4-;;
InChIKeyVDVZTTKPOWFKDR-LBHZCZIWSA-N
MW227.40 g/mol
LogP2.90
Rot. Bonds2

About ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine

ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine (PubChem CID 143703268) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine.

Molecular Properties

Compound Nameethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine
PubChem CID143703268
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Nameethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine
SMILESC/C=N\C(=C/C)N1CCNCC1.CC.CC
InChIInChI=1S/C9H17N3.2C2H6/c1-3-9(11-4-2)12-7-5-10-6-8-12;2*1-2/h3-4,10H,5-8H2,1-2H3;2*1-2H3/b9-3+,11-4-;;
InChIKeyVDVZTTKPOWFKDR-LBHZCZIWSA-N
XLogP2.90
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-piperazin-1-ylethenyl)ethanimine
CID 68377765
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
1-(3,4-Dihydropyridin-6-yl)piperazine
CID 89109754
1-(3-Methyl-3,4-dihydropyridin-6-yl)piperazine
CID 89113427
N-(1-piperazin-1-ylprop-1-enyl)methanimine
CID 91155840
1-methyl-6-piperazin-1-yl-2H-pyrazine
CID 130348982
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
ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180476
CID 142444971
CID 142444971
(Z)-N-[(Z)-1-piperazin-1-ylbut-1-enyl]butan-1-imine
CID 142486513
2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyrimidine-2,6-diamine
CID 142642607

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine?
The IUPAC name of ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine (CID 143703268) is ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine.
What is the SMILES notation for ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine?
The canonical SMILES for ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine is C/C=N\C(=C/C)N1CCNCC1.CC.CC.
What is the InChIKey of ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine?
The InChIKey is VDVZTTKPOWFKDR-LBHZCZIWSA-N. The full InChI is InChI=1S/C9H17N3.2C2H6/c1-3-9(11-4-2)12-7-5-10-6-8-12;2*1-2/h3-4,10H,5-8H2,1-2H3;2*1-2H3/b9-3+,11-4-;;.
What are the key properties of ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine?
ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine has a molecular weight of 227.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine is sourced from PubChem (CID 143703268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).