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

C16H31N3 — CID 142358638

IUPAC2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine
SMILESCC/C(=C\N=C(/CC)C(C)C)CN1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-6-15(12-17-16(7-2)14(3)4)13-19-10-8-18(5)9-11-19/h12,14H,6-11,13H2,1-5H3/b15-12+,17-16+
InChIKeyXLJCXADMBQTQPR-PYWSDYSGSA-N
MW265.44 g/mol
LogP3.03
Rot. Bonds6

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

2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine (PubChem CID 142358638) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine.

Molecular Properties

Compound Name2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine
PubChem CID142358638
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine
SMILESCC/C(=C\N=C(/CC)C(C)C)CN1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-6-15(12-17-16(7-2)14(3)4)13-19-10-8-18(5)9-11-19/h12,14H,6-11,13H2,1-5H3/b15-12+,17-16+
InChIKeyXLJCXADMBQTQPR-PYWSDYSGSA-N
XLogP3.03
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
CID 89311359
1-(2,4-Dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine
CID 123287693
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-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]butan-2-imine
CID 142358589
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
4-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pent-1-en-3-imine
CID 142358689
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 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine?
The IUPAC name of 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine (CID 142358638) is 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine.
What is the SMILES notation for 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine?
The canonical SMILES for 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine is CC/C(=C\N=C(/CC)C(C)C)CN1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine?
The InChIKey is XLJCXADMBQTQPR-PYWSDYSGSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-15(12-17-16(7-2)14(3)4)13-19-10-8-18(5)9-11-19/h12,14H,6-11,13H2,1-5H3/b15-12+,17-16+.
What are the key properties of 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine?
2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine has a molecular weight of 265.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-2-[(4-methylpiperazin-1-yl)methyl]but-1-enyl]pentan-3-imine is sourced from PubChem (CID 142358638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).