(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine

C9H17N3 — CID 153330724

IUPAC(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
SMILESC/C=C\C(=N/C)N1CCNCC1
InChIInChI=1S/C9H17N3/c1-3-4-9(10-2)12-7-5-11-6-8-12/h3-4,11H,5-8H2,1-2H3/b4-3-,10-9+
InChIKeyWXFNTKQHBNSNFJ-PWGWRZEZSA-N
MW167.26 g/mol
LogP0.50
Rot. Bonds1

About (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine

(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine (PubChem CID 153330724) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
PubChem CID153330724
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
SMILESC/C=C\C(=N/C)N1CCNCC1
InChIInChI=1S/C9H17N3/c1-3-4-9(10-2)12-7-5-11-6-8-12/h3-4,11H,5-8H2,1-2H3/b4-3-,10-9+
InChIKeyWXFNTKQHBNSNFJ-PWGWRZEZSA-N
XLogP0.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.50
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'}

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Related Compounds

2-fluoro-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
CID 123530717
(E)-N-(1-fluoroethenyl)-1-piperazin-1-ylprop-2-en-1-imine
CID 144288809
2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 15778570
2-prop-1-enyl-4,5-dihydro-1H-imidazole
CID 53814883
2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
CID 57177363
N-[2-(2-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 67176356
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
(NZ)-N-[(2Z,4Z)-1-piperazin-1-ylhexa-2,4-dienylidene]hydroxylamine
CID 89733281
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
N-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 123212426

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine (CID 153330724) is (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine is C/C=C\C(=N/C)N1CCNCC1.
What is the InChIKey of (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine?
The InChIKey is WXFNTKQHBNSNFJ-PWGWRZEZSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-9(10-2)12-7-5-11-6-8-12/h3-4,11H,5-8H2,1-2H3/b4-3-,10-9+.
What are the key properties of (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine?
(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine has a molecular weight of 167.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 153330724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).