2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine

C22H37N3 — CID 134224952

IUPAC2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine
SMILESCCC(CC)(C/C=C(\C=C/C(C)(C)C)c1nc(C)nc(C)n1)C(C)C
InChIInChI=1S/C22H37N3/c1-10-22(11-2,16(3)4)15-13-19(12-14-21(7,8)9)20-24-17(5)23-18(6)25-20/h12-14,16H,10-11,15H2,1-9H3/b14-12-,19-13+
InChIKeyDMYJCZLEYWNAPN-WROMKANLSA-N
MW343.56 g/mol
LogP6.33
Rot. Bonds7

About 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine

2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine (PubChem CID 134224952) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine
PubChem CID134224952
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine
SMILESCCC(CC)(C/C=C(\C=C/C(C)(C)C)c1nc(C)nc(C)n1)C(C)C
InChIInChI=1S/C22H37N3/c1-10-22(11-2,16(3)4)15-13-19(12-14-21(7,8)9)20-24-17(5)23-18(6)25-20/h12-14,16H,10-11,15H2,1-9H3/b14-12-,19-13+
InChIKeyDMYJCZLEYWNAPN-WROMKANLSA-N
XLogP6.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine (CID 134224952) is 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine is CCC(CC)(C/C=C(\C=C/C(C)(C)C)c1nc(C)nc(C)n1)C(C)C.
What is the InChIKey of 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine?
The InChIKey is DMYJCZLEYWNAPN-WROMKANLSA-N. The full InChI is InChI=1S/C22H37N3/c1-10-22(11-2,16(3)4)15-13-19(12-14-21(7,8)9)20-24-17(5)23-18(6)25-20/h12-14,16H,10-11,15H2,1-9H3/b14-12-,19-13+.
What are the key properties of 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine?
2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine has a molecular weight of 343.56 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5E)-8,8-diethyl-2,2,9-trimethyldeca-3,5-dien-5-yl]-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 134224952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).