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

C11H19N3 — CID 70293948

IUPAC1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C/C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-6-12-11(5-2)14-9-7-13(3)8-10-14/h4-6H,2,7-10H2,1,3H3/b6-4-,12-11+
InChIKeyJDCQGSIXBHTQHJ-YAPADFHGSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds2

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

1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (PubChem CID 70293948) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
PubChem CID70293948
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C/C)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-4-6-12-11(5-2)14-9-7-13(3)8-10-14/h4-6H,2,7-10H2,1,3H3/b6-4-,12-11+
InChIKeyJDCQGSIXBHTQHJ-YAPADFHGSA-N
XLogP1.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
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 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (CID 70293948) is 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is C=C/C(=N\C=C/C)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The InChIKey is JDCQGSIXBHTQHJ-YAPADFHGSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-6-12-11(5-2)14-9-7-13(3)8-10-14/h4-6H,2,7-10H2,1,3H3/b6-4-,12-11+.
What are the key properties of 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine has a molecular weight of 193.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 70293948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).