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

C16H33N3 — CID 142358568

IUPACethane;3-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.CC
InChIInChI=1S/C14H27N3.C2H6/c1-12(2)14(4)15-10-13(3)11-17-8-6-16(5)7-9-17;1-2/h10,12H,6-9,11H2,1-5H3;1-2H3/b13-10+,15-14+;
InChIKeyKRNQHEINTFWPII-FKPMRVIKSA-N
MW267.46 g/mol
LogP3.28
Rot. Bonds4

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

ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine (PubChem CID 142358568) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine
PubChem CID142358568
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Nameethane;3-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.CC
InChIInChI=1S/C14H27N3.C2H6/c1-12(2)14(4)15-10-13(3)11-17-8-6-16(5)7-9-17;1-2/h10,12H,6-9,11H2,1-5H3;1-2H3/b13-10+,15-14+;
InChIKeyKRNQHEINTFWPII-FKPMRVIKSA-N
XLogP3.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine with MolForge

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Related Compounds

N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine
CID 142358551
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
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 ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine?
The IUPAC name of ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine (CID 142358568) is ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine.
What is the SMILES notation for ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine?
The InChIKey is KRNQHEINTFWPII-FKPMRVIKSA-N. The full InChI is InChI=1S/C14H27N3.C2H6/c1-12(2)14(4)15-10-13(3)11-17-8-6-16(5)7-9-17;1-2/h10,12H,6-9,11H2,1-5H3;1-2H3/b13-10+,15-14+;.
What are the key properties of ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine?
ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine has a molecular weight of 267.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[(E)-2-methyl-3-(4-methylpiperazin-1-yl)prop-1-enyl]butan-2-imine is sourced from PubChem (CID 142358568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).