(Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine

C12H21N3 — CID 144801116

IUPAC(Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\N=C(\C=C/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-6-12(13-7-5-2)15-10-8-14(3)9-11-15/h4-7H,8-11H2,1-3H3/b6-4-,7-5-,13-12-
InChIKeyMJUQHFMZVIBOKJ-DHIWDLEMSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds2

About (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine

(Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine (PubChem CID 144801116) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
PubChem CID144801116
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine
SMILESC/C=C\N=C(\C=C/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-6-12(13-7-5-2)15-10-8-14(3)9-11-15/h4-7H,8-11H2,1-3H3/b6-4-,7-5-,13-12-
InChIKeyMJUQHFMZVIBOKJ-DHIWDLEMSA-N
XLogP1.74
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The IUPAC name of (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine (CID 144801116) is (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The canonical SMILES for (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine is C/C=C\N=C(\C=C/C)N1CCN(C)CC1.
What is the InChIKey of (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
The InChIKey is MJUQHFMZVIBOKJ-DHIWDLEMSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-12(13-7-5-2)15-10-8-14(3)9-11-15/h4-7H,8-11H2,1-3H3/b6-4-,7-5-,13-12-.
What are the key properties of (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine?
(Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 144801116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).