2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine

C13H27N7 — CID 80845861

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(N(C)C)nc(N(C)CCN(C)C)n1
InChIInChI=1S/C13H27N7/c1-7-8-14-11-15-12(19(4)5)17-13(16-11)20(6)10-9-18(2)3/h7-10H2,1-6H3,(H,14,15,16,17)
InChIKeyGKBAPUMZPIETKY-UHFFFAOYSA-N
MW281.41 g/mol
LogP0.76
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine

2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80845861) has the molecular formula C13H27N7 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80845861
Molecular FormulaC13H27N7
Molecular Weight281.41 g/mol
Exact Mass281.23
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(N(C)C)nc(N(C)CCN(C)C)n1
InChIInChI=1S/C13H27N7/c1-7-8-14-11-15-12(19(4)5)17-13(16-11)20(6)10-9-18(2)3/h7-10H2,1-6H3,(H,14,15,16,17)
InChIKeyGKBAPUMZPIETKY-UHFFFAOYSA-N
XLogP0.76
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(2-methoxyethyl)-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795524
2-N-ethyl-4-N,4-N-dimethyl-2-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 80774261
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-N,4-N,4-N,6-N-tetramethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774094
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
2-N,4-N,4-N-trimethyl-6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80790537
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
2-N,4-N,4-N-trimethyl-2-N-(1-methylsulfanylbutan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 115988791

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80845861) is 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(N(C)C)nc(N(C)CCN(C)C)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GKBAPUMZPIETKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7/c1-7-8-14-11-15-12(19(4)5)17-13(16-11)20(6)10-9-18(2)3/h7-10H2,1-6H3,(H,14,15,16,17).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 281.41 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80845861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).