N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine

C16H31N3 — CID 142358551

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

About N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine

N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine (PubChem CID 142358551) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine.

Molecular Properties

Compound NameN-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine
PubChem CID142358551
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine
SMILESCC/C(=N\C=C(/C)CN1CCN(CC)CC1)C(C)C
InChIInChI=1S/C16H31N3/c1-6-16(14(3)4)17-12-15(5)13-19-10-8-18(7-2)9-11-19/h12,14H,6-11,13H2,1-5H3/b15-12+,17-16+
InChIKeyRNMOLYWKQHKTQQ-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'}

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Related Compounds

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
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 N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine?
The IUPAC name of N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine (CID 142358551) is N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine.
What is the SMILES notation for N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine?
The canonical SMILES for N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine is CC/C(=N\C=C(/C)CN1CCN(CC)CC1)C(C)C.
What is the InChIKey of N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine?
The InChIKey is RNMOLYWKQHKTQQ-PYWSDYSGSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-16(14(3)4)17-12-15(5)13-19-10-8-18(7-2)9-11-19/h12,14H,6-11,13H2,1-5H3/b15-12+,17-16+.
What are the key properties of N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine?
N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-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 N-[(E)-3-(4-ethylpiperazin-1-yl)-2-methylprop-1-enyl]-2-methylpentan-3-imine is sourced from PubChem (CID 142358551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).