4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C14H28N6 — CID 80852626

IUPAC4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCC(C)(C)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C14H28N6/c1-6-7-8-9-14(2,3)10-16-12-17-11(15)18-13(19-12)20(4)5/h6-10H2,1-5H3,(H3,15,16,17,18,19)
InChIKeyNPEJRTFJIUVMIC-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.54
Rot. Bonds8

About 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80852626) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80852626
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCC(C)(C)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C14H28N6/c1-6-7-8-9-14(2,3)10-16-12-17-11(15)18-13(19-12)20(4)5/h6-10H2,1-5H3,(H3,15,16,17,18,19)
InChIKeyNPEJRTFJIUVMIC-UHFFFAOYSA-N
XLogP2.54
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-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

3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
CID 80842330
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257760
ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80789784
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 113496716
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45264890
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80786919
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80771087
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150044
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
CID 80861351

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80852626) is 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CCCCCC(C)(C)CNc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NPEJRTFJIUVMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-6-7-8-9-14(2,3)10-16-12-17-11(15)18-13(19-12)20(4)5/h6-10H2,1-5H3,(H3,15,16,17,18,19).
What are the key properties of 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 280.42 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80852626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).