2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine

C14H23N3 — CID 123551205

IUPAC2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine
SMILESCC=C(C)CCC(C)CCc1ncnc(C)n1
InChIInChI=1S/C14H23N3/c1-5-11(2)6-7-12(3)8-9-14-16-10-15-13(4)17-14/h5,10,12H,6-9H2,1-4H3
InChIKeyFDWSPNQCUMTZFQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.50
Rot. Bonds6

About 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine

2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine (PubChem CID 123551205) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine
PubChem CID123551205
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine
SMILESCC=C(C)CCC(C)CCc1ncnc(C)n1
InChIInChI=1S/C14H23N3/c1-5-11(2)6-7-12(3)8-9-14-16-10-15-13(4)17-14/h5,10,12H,6-9H2,1-4H3
InChIKeyFDWSPNQCUMTZFQ-UHFFFAOYSA-N
XLogP3.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohex-2-en-1-yl-1,3,5-triazine
CID 70120396
2,4-Bis(3-methylbut-2-enyl)-1,3,5-triazine
CID 122657764
2-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine;ethane
CID 142126137
2-hexa-1,5-dien-3-yl-4-[(1E)-3-[(1E)-hexa-1,5-dienyl]-5,6-dimethylidenedeca-1,9-dienyl]-1,3,5-triazine
CID 166984446
2-cyclohexa-2,4-dien-1-yl-4-[(1E)-3-cyclohexa-1,5-dien-1-yl-6-methyl-5-methylidenedeca-1,9-dienyl]-1,3,5-triazine
CID 166984458
2-(Cycloocten-1-yl)-1,3,5-triazine
CID 173502904
2,4-Bis(hex-4-enyl)-1,3,5-triazine
CID 175384284
2-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
CID 142126138
2-(2-Methylspiro[2.5]octa-5,7-dien-2-yl)-4-propan-2-yl-1,3,5-triazine
CID 145347971
2-(2,8-Dimethylspiro[2.5]octa-4,6-dien-2-yl)-4-propan-2-yl-1,3,5-triazine
CID 145348068

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine?
The IUPAC name of 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine (CID 123551205) is 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine.
What is the SMILES notation for 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine?
The canonical SMILES for 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine is CC=C(C)CCC(C)CCc1ncnc(C)n1.
What is the InChIKey of 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine?
The InChIKey is FDWSPNQCUMTZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-11(2)6-7-12(3)8-9-14-16-10-15-13(4)17-14/h5,10,12H,6-9H2,1-4H3.
What are the key properties of 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine?
2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine has a molecular weight of 233.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyloct-6-enyl)-4-methyl-1,3,5-triazine is sourced from PubChem (CID 123551205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).