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

C15H29N3 — CID 142358592

IUPAC2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine
SMILESCC/C(=N\C=C(/C)CN1CCN(C)CC1)C(C)C
InChIInChI=1S/C15H29N3/c1-6-15(13(2)3)16-11-14(4)12-18-9-7-17(5)8-10-18/h11,13H,6-10,12H2,1-5H3/b14-11+,16-15+
InChIKeyMWBGYHWEWKQEAT-LPVXAABHSA-N
MW251.42 g/mol
LogP2.64
Rot. Bonds5

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

2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine (PubChem CID 142358592) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine.

Molecular Properties

Compound Name2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine
PubChem CID142358592
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine
SMILESCC/C(=N\C=C(/C)CN1CCN(C)CC1)C(C)C
InChIInChI=1S/C15H29N3/c1-6-15(13(2)3)16-11-14(4)12-18-9-7-17(5)8-10-18/h11,13H,6-10,12H2,1-5H3/b14-11+,16-15+
InChIKeyMWBGYHWEWKQEAT-LPVXAABHSA-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'}

Analyze 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-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

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
2-methyl-N-[(E)-2-methyl-3-piperazin-1-ylprop-1-enyl]pentan-3-imine
CID 142358601
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
N-[(E)-2-methyl-3-[(5R)-2,4,5-trimethylpiperazin-1-yl]prop-1-enyl]propan-2-imine
CID 146664797
3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine
CID 142358569
N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
CID 142358606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine?
The IUPAC name of 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine (CID 142358592) is 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine.
What is the SMILES notation for 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine?
The canonical SMILES for 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine is CC/C(=N\C=C(/C)CN1CCN(C)CC1)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine?
The InChIKey is MWBGYHWEWKQEAT-LPVXAABHSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-15(13(2)3)16-11-14(4)12-18-9-7-17(5)8-10-18/h11,13H,6-10,12H2,1-5H3/b14-11+,16-15+.
What are the key properties of 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine?
2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-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 2-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine is sourced from PubChem (CID 142358592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).