2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane

C15H21N3 — CID 139551200

IUPAC2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane
SMILESC=CCN1C(=C)N(CC=C)C(=C)N(CC=C)C1=C
InChIInChI=1S/C15H21N3/c1-7-10-16-13(4)17(11-8-2)15(6)18(12-9-3)14(16)5/h7-9H,1-6,10-12H2
InChIKeyQRBCTQBWKGLXGD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.88
Rot. Bonds6

About 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane

2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane (PubChem CID 139551200) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane.

Molecular Properties

Compound Name2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane
PubChem CID139551200
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane
SMILESC=CCN1C(=C)N(CC=C)C(=C)N(CC=C)C1=C
InChIInChI=1S/C15H21N3/c1-7-10-16-13(4)17(11-8-2)15(6)18(12-9-3)14(16)5/h7-9H,1-6,10-12H2
InChIKeyQRBCTQBWKGLXGD-UHFFFAOYSA-N
XLogP2.88
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.88
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 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane?
The IUPAC name of 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane (CID 139551200) is 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane.
What is the SMILES notation for 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane?
The canonical SMILES for 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane is C=CCN1C(=C)N(CC=C)C(=C)N(CC=C)C1=C.
What is the InChIKey of 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane?
The InChIKey is QRBCTQBWKGLXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-7-10-16-13(4)17(11-8-2)15(6)18(12-9-3)14(16)5/h7-9H,1-6,10-12H2.
What are the key properties of 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane?
2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane has a molecular weight of 243.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylidene-1,3,5-tris(prop-2-enyl)-1,3,5-triazinane is sourced from PubChem (CID 139551200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).