4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine

C15H30N6 — CID 80825421

IUPAC4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC(C)C(C)C)nc(N(CC)CC)n1
InChIInChI=1S/C15H30N6/c1-7-16-13-18-14(17-10-12(6)11(4)5)20-15(19-13)21(8-2)9-3/h11-12H,7-10H2,1-6H3,(H2,16,17,18,19,20)
InChIKeyIGAACGNVIONACS-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.85
Rot. Bonds9

About 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine

4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80825421) has the molecular formula C15H30N6 and a molecular weight of 294.45 g/mol. Its IUPAC name is 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80825421
Molecular FormulaC15H30N6
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC(C)C(C)C)nc(N(CC)CC)n1
InChIInChI=1S/C15H30N6/c1-7-16-13-18-14(17-10-12(6)11(4)5)20-15(19-13)21(8-2)9-3/h11-12H,7-10H2,1-6H3,(H2,16,17,18,19,20)
InChIKeyIGAACGNVIONACS-UHFFFAOYSA-N
XLogP2.85
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-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

Related Compounds

2-N,2-N,6-N-triethyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80785774
2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80764116
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 113467023
6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 54292707
6-but-3-yn-2-yloxy-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 106795461
4-N-(2-cyclopropylethyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80847684
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
1-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-2-ol
CID 107159869
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80851247
6-(2,2-difluoroethoxy)-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 82009098
2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80782409

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine (CID 80825421) is 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC(C)C(C)C)nc(N(CC)CC)n1.
What is the InChIKey of 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IGAACGNVIONACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6/c1-7-16-13-18-14(17-10-12(6)11(4)5)20-15(19-13)21(8-2)9-3/h11-12H,7-10H2,1-6H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 294.45 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80825421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).