1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane

C15H27N3 — CID 70444123

IUPAC1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane
SMILESC/C=C/CN1CN(C/C=C/C)CN(C/C=C/C)C1
InChIInChI=1S/C15H27N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-9H,10-15H2,1-3H3/b7-4+,8-5+,9-6+
InChIKeySNJCIBKUEWLMIY-OTWDQPKHSA-N
MW249.40 g/mol
LogP2.51
Rot. Bonds6

About 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane

1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane (PubChem CID 70444123) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane.

Molecular Properties

Compound Name1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane
PubChem CID70444123
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane
SMILESC/C=C/CN1CN(C/C=C/C)CN(C/C=C/C)C1
InChIInChI=1S/C15H27N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-9H,10-15H2,1-3H3/b7-4+,8-5+,9-6+
InChIKeySNJCIBKUEWLMIY-OTWDQPKHSA-N
XLogP2.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane?
The IUPAC name of 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane (CID 70444123) is 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane.
What is the SMILES notation for 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane?
The canonical SMILES for 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane is C/C=C/CN1CN(C/C=C/C)CN(C/C=C/C)C1.
What is the InChIKey of 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane?
The InChIKey is SNJCIBKUEWLMIY-OTWDQPKHSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-9H,10-15H2,1-3H3/b7-4+,8-5+,9-6+.
What are the key properties of 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane?
1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane has a molecular weight of 249.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[(E)-but-2-enyl]-1,3,5-triazinane is sourced from PubChem (CID 70444123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).