N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine

C16H31N3 — CID 170246973

IUPACN-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine
SMILESC=C/C(CCCCCCN1CCN(C)CC1)=N\CC
InChIInChI=1S/C16H31N3/c1-4-16(17-5-2)10-8-6-7-9-11-19-14-12-18(3)13-15-19/h4H,1,5-15H2,2-3H3/b17-16+
InChIKeyAZWVTPRTIFWIED-WUKNDPDISA-N
MW265.44 g/mol
LogP2.83
Rot. Bonds9

About N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine

N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine (PubChem CID 170246973) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine.

Molecular Properties

Compound NameN-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine
PubChem CID170246973
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine
SMILESC=C/C(CCCCCCN1CCN(C)CC1)=N\CC
InChIInChI=1S/C16H31N3/c1-4-16(17-5-2)10-8-6-7-9-11-19-14-12-18(3)13-15-19/h4H,1,5-15H2,2-3H3/b17-16+
InChIKeyAZWVTPRTIFWIED-WUKNDPDISA-N
XLogP2.83
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine?
The IUPAC name of N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine (CID 170246973) is N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine.
What is the SMILES notation for N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine?
The canonical SMILES for N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine is C=C/C(CCCCCCN1CCN(C)CC1)=N\CC.
What is the InChIKey of N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine?
The InChIKey is AZWVTPRTIFWIED-WUKNDPDISA-N. The full InChI is InChI=1S/C16H31N3/c1-4-16(17-5-2)10-8-6-7-9-11-19-14-12-18(3)13-15-19/h4H,1,5-15H2,2-3H3/b17-16+.
What are the key properties of N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine?
N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine has a molecular weight of 265.44 g/mol, XLogP of 2.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine is sourced from PubChem (CID 170246973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).