1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine

C12H22N4 — CID 123801132

IUPAC1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C=C(\C)CN1CCN(C)CC1
InChIInChI=1S/C12H22N4/c1-11(8-14-9-12(2)13)10-16-6-4-15(3)5-7-16/h8-9,13H,4-7,10H2,1-3H3/b11-8+,13-12+,14-9+
InChIKeyDBGJJASWTYMHPP-AYEVGADWSA-N
MW222.34 g/mol
LogP1.25
Rot. Bonds4

About 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine

1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine (PubChem CID 123801132) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine.

Molecular Properties

Compound Name1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine
PubChem CID123801132
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C=C(\C)CN1CCN(C)CC1
InChIInChI=1S/C12H22N4/c1-11(8-14-9-12(2)13)10-16-6-4-15(3)5-7-16/h8-9,13H,4-7,10H2,1-3H3/b11-8+,13-12+,14-9+
InChIKeyDBGJJASWTYMHPP-AYEVGADWSA-N
XLogP1.25
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine?
The IUPAC name of 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine (CID 123801132) is 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine.
What is the SMILES notation for 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine?
The canonical SMILES for 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine is [H]/N=C(C)/C=N/C=C(\C)CN1CCN(C)CC1.
What is the InChIKey of 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine?
The InChIKey is DBGJJASWTYMHPP-AYEVGADWSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(8-14-9-12(2)13)10-16-6-4-15(3)5-7-16/h8-9,13H,4-7,10H2,1-3H3/b11-8+,13-12+,14-9+.
What are the key properties of 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine?
1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine has a molecular weight of 222.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine is sourced from PubChem (CID 123801132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).