4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine

C15H27N3 — CID 142358689

IUPAC4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(=N\C=C(/C)CN1CCN(C)CC1)C(C)C
InChIInChI=1S/C15H27N3/c1-6-15(13(2)3)16-11-14(4)12-18-9-7-17(5)8-10-18/h6,11,13H,1,7-10,12H2,2-5H3/b14-11+,16-15+
InChIKeyJVXWIKIAITYNFT-LPVXAABHSA-N
MW249.40 g/mol
LogP2.42
Rot. Bonds5

About 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine

4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine (PubChem CID 142358689) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine.

Molecular Properties

Compound Name4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine
PubChem CID142358689
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine
SMILESC=C/C(=N\C=C(/C)CN1CCN(C)CC1)C(C)C
InChIInChI=1S/C15H27N3/c1-6-15(13(2)3)16-11-14(4)12-18-9-7-17(5)8-10-18/h6,11,13H,1,7-10,12H2,2-5H3/b14-11+,16-15+
InChIKeyJVXWIKIAITYNFT-LPVXAABHSA-N
XLogP2.42
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine
CID 142358589
2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine
CID 142358638
3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine
CID 142358569

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine?
The IUPAC name of 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine (CID 142358689) is 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine.
What is the SMILES notation for 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine?
The canonical SMILES for 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine is C=C/C(=N\C=C(/C)CN1CCN(C)CC1)C(C)C.
What is the InChIKey of 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine?
The InChIKey is JVXWIKIAITYNFT-LPVXAABHSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-15(13(2)3)16-11-14(4)12-18-9-7-17(5)8-10-18/h6,11,13H,1,7-10,12H2,2-5H3/b14-11+,16-15+.
What are the key properties of 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine?
4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine has a molecular weight of 249.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine is sourced from PubChem (CID 142358689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).