2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine

C11H22N6 — CID 57140276

IUPAC2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCC(C)(CC)Nc1nc(N)nc(N)n1
InChIInChI=1S/C11H22N6/c1-4-6-7-11(3,5-2)17-10-15-8(12)14-9(13)16-10/h4-7H2,1-3H3,(H5,12,13,14,15,16,17)
InChIKeyJVTIRVJFNKKSHT-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.81
Rot. Bonds6

About 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine

2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 57140276) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID57140276
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCC(C)(CC)Nc1nc(N)nc(N)n1
InChIInChI=1S/C11H22N6/c1-4-6-7-11(3,5-2)17-10-15-8(12)14-9(13)16-10/h4-7H2,1-3H3,(H5,12,13,14,15,16,17)
InChIKeyJVTIRVJFNKKSHT-UHFFFAOYSA-N
XLogP1.81
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine 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 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 57140276) is 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine is CCCCC(C)(CC)Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JVTIRVJFNKKSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-4-6-7-11(3,5-2)17-10-15-8(12)14-9(13)16-10/h4-7H2,1-3H3,(H5,12,13,14,15,16,17).
What are the key properties of 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine?
2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 238.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylheptan-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57140276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).