2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine

C14H25N3 — CID 90724763

IUPAC2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine
SMILESCC(C)CCc1nc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H25N3/c1-9(2)7-8-12-15-13(10(3)4)17-14(16-12)11(5)6/h9-11H,7-8H2,1-6H3
InChIKeyHGEQBTGATHFKIW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.71
Rot. Bonds5

About 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine

2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine (PubChem CID 90724763) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine
PubChem CID90724763
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine
SMILESCC(C)CCc1nc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H25N3/c1-9(2)7-8-12-15-13(10(3)4)17-14(16-12)11(5)6/h9-11H,7-8H2,1-6H3
InChIKeyHGEQBTGATHFKIW-UHFFFAOYSA-N
XLogP3.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Triethyltriazine
CID 13889
2,4,6-Tri(propan-2-yl)-1,3,5-triazine
CID 32829
2-Chloro-4-ethyl-6-propan-2-yl-1,3,5-triazine
CID 87676010
2,4,6-Tritert-butyl-1,3,5-triazine
CID 12208120
2-Isopropyl-4,6-dimethyl-1,3,5-triazine
CID 12269918
2-Methyl-4,6-di(propan-2-yl)-1,3,5-triazine
CID 12269919
Bis(propan-2-yl)-1,3,5-triazin-2-amine
CID 63869137
2-Hexyl-4,6-dimethyl-1,3,5-triazine
CID 118410366
2,4,6-Tripropyl-1,3,5-triazine
CID 13914
2,4,6-Tributyl-1,3,5-triazine
CID 20941
2,4,6-Trioctyl-1,3,5-triazine
CID 254831
2,4-Dimethyl-6-propyl-1,3,5-triazine
CID 24206

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine (CID 90724763) is 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine is CC(C)CCc1nc(C(C)C)nc(C(C)C)n1.
What is the InChIKey of 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine?
The InChIKey is HGEQBTGATHFKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-9(2)7-8-12-15-13(10(3)4)17-14(16-12)11(5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine?
2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine has a molecular weight of 235.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 90724763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).