1,3,5-tris(2-methylpropyl)triazinane

C15H33N3 — CID 21437128

IUPAC1,3,5-tris(2-methylpropyl)triazinane
SMILESCC(C)CC1CN(CC(C)C)NN(CC(C)C)C1
InChIInChI=1S/C15H33N3/c1-12(2)7-15-10-17(8-13(3)4)16-18(11-15)9-14(5)6/h12-16H,7-11H2,1-6H3
InChIKeyLTQATLDCNDGNTO-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.00
Rot. Bonds6

About 1,3,5-tris(2-methylpropyl)triazinane

1,3,5-tris(2-methylpropyl)triazinane (PubChem CID 21437128) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1,3,5-tris(2-methylpropyl)triazinane.

Molecular Properties

Compound Name1,3,5-tris(2-methylpropyl)triazinane
PubChem CID21437128
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1,3,5-tris(2-methylpropyl)triazinane
SMILESCC(C)CC1CN(CC(C)C)NN(CC(C)C)C1
InChIInChI=1S/C15H33N3/c1-12(2)7-15-10-17(8-13(3)4)16-18(11-15)9-14(5)6/h12-16H,7-11H2,1-6H3
InChIKeyLTQATLDCNDGNTO-UHFFFAOYSA-N
XLogP3.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3,5-tris(2-methylpropyl)triazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2-methylpropyl)triazinane?
The IUPAC name of 1,3,5-tris(2-methylpropyl)triazinane (CID 21437128) is 1,3,5-tris(2-methylpropyl)triazinane.
What is the SMILES notation for 1,3,5-tris(2-methylpropyl)triazinane?
The canonical SMILES for 1,3,5-tris(2-methylpropyl)triazinane is CC(C)CC1CN(CC(C)C)NN(CC(C)C)C1.
What is the InChIKey of 1,3,5-tris(2-methylpropyl)triazinane?
The InChIKey is LTQATLDCNDGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-12(2)7-15-10-17(8-13(3)4)16-18(11-15)9-14(5)6/h12-16H,7-11H2,1-6H3.
What are the key properties of 1,3,5-tris(2-methylpropyl)triazinane?
1,3,5-tris(2-methylpropyl)triazinane has a molecular weight of 255.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2-methylpropyl)triazinane is sourced from PubChem (CID 21437128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).