1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine

C17H33N3 — CID 170570143

IUPAC1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine
SMILESCCC(/N=C(\C)N1CCN(C)C(C)C1)=C(/CC)C(C)C
InChIInChI=1S/C17H33N3/c1-8-16(13(3)4)17(9-2)18-15(6)20-11-10-19(7)14(5)12-20/h13-14H,8-12H2,1-7H3/b17-16+,18-15+
InChIKeyXEVPUAQURIJRDQ-UNXSSPOQSA-N
MW279.47 g/mol
LogP3.77
Rot. Bonds4

About 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine

1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine (PubChem CID 170570143) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine
PubChem CID170570143
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine
SMILESCCC(/N=C(\C)N1CCN(C)C(C)C1)=C(/CC)C(C)C
InChIInChI=1S/C17H33N3/c1-8-16(13(3)4)17(9-2)18-15(6)20-11-10-19(7)14(5)12-20/h13-14H,8-12H2,1-7H3/b17-16+,18-15+
InChIKeyXEVPUAQURIJRDQ-UNXSSPOQSA-N
XLogP3.77
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine (CID 170570143) is 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine is CCC(/N=C(\C)N1CCN(C)C(C)C1)=C(/CC)C(C)C.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine?
The InChIKey is XEVPUAQURIJRDQ-UNXSSPOQSA-N. The full InChI is InChI=1S/C17H33N3/c1-8-16(13(3)4)17(9-2)18-15(6)20-11-10-19(7)14(5)12-20/h13-14H,8-12H2,1-7H3/b17-16+,18-15+.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine?
1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine has a molecular weight of 279.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)-N-[(E)-4-ethyl-5-methylhex-3-en-3-yl]ethanimine is sourced from PubChem (CID 170570143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).