2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane

C16H25N3 — CID 130392165

IUPAC2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane
SMILESC=CCN1CN(CC(=C)C)C(=C)N(CC(=C)C)C1=C
InChIInChI=1S/C16H25N3/c1-8-9-17-12-18(10-13(2)3)16(7)19(15(17)6)11-14(4)5/h8H,1-2,4,6-7,9-12H2,3,5H3
InChIKeyGJADQAJILLWPLH-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.14
Rot. Bonds6

About 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane

2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane (PubChem CID 130392165) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane.

Molecular Properties

Compound Name2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane
PubChem CID130392165
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane
SMILESC=CCN1CN(CC(=C)C)C(=C)N(CC(=C)C)C1=C
InChIInChI=1S/C16H25N3/c1-8-9-17-12-18(10-13(2)3)16(7)19(15(17)6)11-14(4)5/h8H,1-2,4,6-7,9-12H2,3,5H3
InChIKeyGJADQAJILLWPLH-UHFFFAOYSA-N
XLogP3.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.14
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-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane?
The IUPAC name of 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane (CID 130392165) is 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane.
What is the SMILES notation for 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane?
The canonical SMILES for 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane is C=CCN1CN(CC(=C)C)C(=C)N(CC(=C)C)C1=C.
What is the InChIKey of 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane?
The InChIKey is GJADQAJILLWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-8-9-17-12-18(10-13(2)3)16(7)19(15(17)6)11-14(4)5/h8H,1-2,4,6-7,9-12H2,3,5H3.
What are the key properties of 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane?
2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane has a molecular weight of 259.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylidene-1,3-bis(2-methylprop-2-enyl)-5-prop-2-enyl-1,3,5-triazinane is sourced from PubChem (CID 130392165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).