N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine

C12H23N3 — CID 146665657

IUPACN-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
SMILESCC(C)=N/C=C(\C)CN1CCNCC1C
InChIInChI=1S/C12H23N3/c1-10(2)14-7-11(3)9-15-6-5-13-8-12(15)4/h7,12-13H,5-6,8-9H2,1-4H3/b11-7+
InChIKeyPLVRYSNPGOWHCQ-YRNVUSSQSA-N
MW209.34 g/mol
LogP1.66
Rot. Bonds3

About N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine

N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine (PubChem CID 146665657) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
PubChem CID146665657
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
SMILESCC(C)=N/C=C(\C)CN1CCNCC1C
InChIInChI=1S/C12H23N3/c1-10(2)14-7-11(3)9-15-6-5-13-8-12(15)4/h7,12-13H,5-6,8-9H2,1-4H3/b11-7+
InChIKeyPLVRYSNPGOWHCQ-YRNVUSSQSA-N
XLogP1.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine?
The IUPAC name of N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine (CID 146665657) is N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine?
The canonical SMILES for N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine is CC(C)=N/C=C(\C)CN1CCNCC1C.
What is the InChIKey of N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine?
The InChIKey is PLVRYSNPGOWHCQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)14-7-11(3)9-15-6-5-13-8-12(15)4/h7,12-13H,5-6,8-9H2,1-4H3/b11-7+.
What are the key properties of N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine?
N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine has a molecular weight of 209.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine is sourced from PubChem (CID 146665657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).