2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine

C23H46N6O2 — CID 56947294

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(N)nc(N(CCCC)CCOCCOCCN)n1
InChIInChI=1S/C23H46N6O2/c1-3-5-7-8-9-10-11-12-13-21-26-22(25)28-23(27-21)29(15-6-4-2)16-18-31-20-19-30-17-14-24/h3-20,24H2,1-2H3,(H2,25,26,27,28)
InChIKeyYUQPXDAHHKFYIR-UHFFFAOYSA-N
MW438.66 g/mol
LogP3.74
Rot. Bonds21

About 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine (PubChem CID 56947294) has the molecular formula C23H46N6O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine
PubChem CID56947294
Molecular FormulaC23H46N6O2
Molecular Weight438.66 g/mol
Exact Mass438.37
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(N)nc(N(CCCC)CCOCCOCCN)n1
InChIInChI=1S/C23H46N6O2/c1-3-5-7-8-9-10-11-12-13-21-26-22(25)28-23(27-21)29(15-6-4-2)16-18-31-20-19-30-17-14-24/h3-20,24H2,1-2H3,(H2,25,26,27,28)
InChIKeyYUQPXDAHHKFYIR-UHFFFAOYSA-N
XLogP3.74
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-Morpholin-4-yl-6-tridecyl-1,3,5-triazin-2-amine
CID 314589
4-Heptyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 314590
4-Morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine
CID 22166508
2-[6-[4-Amino-6-[hexyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]hexylamino]ethanol
CID 68409505
2-[4-[4,6-Bis[butyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]butylamino]ethanol
CID 68412163
2-[6-[4,6-Bis[hexyl(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]hexylamino]ethanol
CID 68413445
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine
CID 71124112
4-Dodecyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 124035331
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 135300695
4-chloro-N-hexadecyl-6-(1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)-1,3,5-triazin-2-amine
CID 144387717
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 23758052
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 23758057

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine (CID 56947294) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCc1nc(N)nc(N(CCCC)CCOCCOCCN)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YUQPXDAHHKFYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6O2/c1-3-5-7-8-9-10-11-12-13-21-26-22(25)28-23(27-21)29(15-6-4-2)16-18-31-20-19-30-17-14-24/h3-20,24H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine has a molecular weight of 438.66 g/mol, XLogP of 3.74, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56947294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).