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

C14H27N3 — CID 142358569

IUPAC3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine
SMILESC/C(=C\N=C(/C)C(C)C)CN1CCN(C)CC1
InChIInChI=1S/C14H27N3/c1-12(2)14(4)15-10-13(3)11-17-8-6-16(5)7-9-17/h10,12H,6-9,11H2,1-5H3/b13-10+,15-14+
InChIKeyAWXVTTOPLJCOMC-HFEXRDJISA-N
MW237.39 g/mol
LogP2.25
Rot. Bonds4

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

3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine (PubChem CID 142358569) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine
PubChem CID142358569
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine
SMILESC/C(=C\N=C(/C)C(C)C)CN1CCN(C)CC1
InChIInChI=1S/C14H27N3/c1-12(2)14(4)15-10-13(3)11-17-8-6-16(5)7-9-17/h10,12H,6-9,11H2,1-5H3/b13-10+,15-14+
InChIKeyAWXVTTOPLJCOMC-HFEXRDJISA-N
XLogP2.25
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.25
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

4-(2-Methylprop-1-enyl)-N-(2-methylpropylidene)piperazine-1-ethylamine
CID 11970487
1-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]propane-1,2-diimine
CID 123801132
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-(4-methylpiperazin-1-yl)prop-1-enyl]pentan-3-imine
CID 142358592
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
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
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 3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine?
The IUPAC name of 3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine (CID 142358569) is 3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine is C/C(=C\N=C(/C)C(C)C)CN1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine?
The InChIKey is AWXVTTOPLJCOMC-HFEXRDJISA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)14(4)15-10-13(3)11-17-8-6-16(5)7-9-17/h10,12H,6-9,11H2,1-5H3/b13-10+,15-14+.
What are the key properties of 3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine?
3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine has a molecular weight of 237.39 g/mol, XLogP of 2.25, 4 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-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine is sourced from PubChem (CID 142358569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).