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

C13H26N6O — CID 80833994

IUPAC2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCOCCN(CC)c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C13H26N6O/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-3)9-10-20-8-4/h5-10H2,1-4H3,(H2,14,15,16,17)
InChIKeyJBLPPPFQPTYRSG-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.16
Rot. Bonds9

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

2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80833994) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80833994
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCOCCN(CC)c1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C13H26N6O/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-3)9-10-20-8-4/h5-10H2,1-4H3,(H2,14,15,16,17)
InChIKeyJBLPPPFQPTYRSG-UHFFFAOYSA-N
XLogP1.16
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
2-N-ethyl-2-N-(2-methoxyethyl)-6-propyl-1,3,5-triazine-2,4-diamine
CID 112746069
2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 80787377
2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795919
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80791325
4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63690083
2-N-(2-ethoxyethyl)-2-N-ethyl-6-methoxypyridine-2,3-diamine
CID 113286561
[2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidin-4-yl]methanol
CID 114219900
6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 82961160
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 80876870

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine (CID 80833994) is 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine is CCOCCN(CC)c1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JBLPPPFQPTYRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-3)9-10-20-8-4/h5-10H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine?
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 282.39 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80833994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).