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

C25H48N6O2 — CID 23758059

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1
InChIInChI=1S/C25H48N6O2/c1-2-3-4-5-6-7-8-12-15-23-29-24(27-17-19-33-21-20-32-18-16-26)31-25(30-23)28-22-13-10-9-11-14-22/h22H,2-21,26H2,1H3,(H2,27,28,29,30,31)
InChIKeyGPZCXJSJTSAELE-UHFFFAOYSA-N
MW464.70 g/mol
LogP4.70
Rot. Bonds20

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine (PubChem CID 23758059) has the molecular formula C25H48N6O2 and a molecular weight of 464.70 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine
PubChem CID23758059
Molecular FormulaC25H48N6O2
Molecular Weight464.70 g/mol
Exact Mass464.38
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1
InChIInChI=1S/C25H48N6O2/c1-2-3-4-5-6-7-8-12-15-23-29-24(27-17-19-33-21-20-32-18-16-26)31-25(30-23)28-22-13-10-9-11-14-22/h22H,2-21,26H2,1H3,(H2,27,28,29,30,31)
InChIKeyGPZCXJSJTSAELE-UHFFFAOYSA-N
XLogP4.70
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine (CID 23758059) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GPZCXJSJTSAELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N6O2/c1-2-3-4-5-6-7-8-12-15-23-29-24(27-17-19-33-21-20-32-18-16-26)31-25(30-23)28-22-13-10-9-11-14-22/h22H,2-21,26H2,1H3,(H2,27,28,29,30,31).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine has a molecular weight of 464.70 g/mol, XLogP of 4.70, 20 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).