3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine

C15H29N3 — CID 142358589

IUPAC3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine
SMILESCC/C(=C\N=C(/C)C(C)C)CN1CCN(C)CC1
InChIInChI=1S/C15H29N3/c1-6-15(11-16-14(4)13(2)3)12-18-9-7-17(5)8-10-18/h11,13H,6-10,12H2,1-5H3/b15-11+,16-14+
InChIKeyWYJLCAOUUARDJN-XQYSVVAESA-N
MW251.42 g/mol
LogP2.64
Rot. Bonds5

About 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine

3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine (PubChem CID 142358589) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine
PubChem CID142358589
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine
SMILESCC/C(=C\N=C(/C)C(C)C)CN1CCN(C)CC1
InChIInChI=1S/C15H29N3/c1-6-15(11-16-14(4)13(2)3)12-18-9-7-17(5)8-10-18/h11,13H,6-10,12H2,1-5H3/b15-11+,16-14+
InChIKeyWYJLCAOUUARDJN-XQYSVVAESA-N
XLogP2.64
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.64
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

1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine
CID 89311358
1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
CID 89311359
3-methyl-N-[(E)-2-[[4-(2-nitrosoethyl)piperazin-1-yl]methyl]but-1-enyl]butan-2-imine
CID 139539052
N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine
CID 142358551
ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine
CID 142358568
3-methyl-N-[(E)-2-(piperazin-1-ylmethyl)but-1-enyl]butan-2-imine
CID 142358591
2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine
CID 142358592
1-Methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
CID 142358594
ethane;N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
CID 142358605
2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine
CID 142358638
4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine
CID 142358689
N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine
CID 146664797

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine?
The IUPAC name of 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine (CID 142358589) is 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine is CC/C(=C\N=C(/C)C(C)C)CN1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine?
The InChIKey is WYJLCAOUUARDJN-XQYSVVAESA-N. The full InChI is InChI=1S/C15H29N3/c1-6-15(11-16-14(4)13(2)3)12-18-9-7-17(5)8-10-18/h11,13H,6-10,12H2,1-5H3/b15-11+,16-14+.
What are the key properties of 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine?
3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine has a molecular weight of 251.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine is sourced from PubChem (CID 142358589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).