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

C22H44N6O2 — CID 135300695

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(NCCC)nc(NCCOCCOCCN)n1
InChIInChI=1S/C22H44N6O2/c1-3-5-6-7-8-9-10-11-12-20-26-21(24-14-4-2)28-22(27-20)25-15-17-30-19-18-29-16-13-23/h3-19,23H2,1-2H3,(H2,24,25,26,27,28)
InChIKeySWOGSVJZRKDBEK-UHFFFAOYSA-N
MW424.63 g/mol
LogP3.78
Rot. Bonds21

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

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 135300695) has the molecular formula C22H44N6O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID135300695
Molecular FormulaC22H44N6O2
Molecular Weight424.63 g/mol
Exact Mass424.35
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(NCCC)nc(NCCOCCOCCN)n1
InChIInChI=1S/C22H44N6O2/c1-3-5-6-7-8-9-10-11-12-20-26-21(24-14-4-2)28-22(27-20)25-15-17-30-19-18-29-16-13-23/h3-19,23H2,1-2H3,(H2,24,25,26,27,28)
InChIKeySWOGSVJZRKDBEK-UHFFFAOYSA-N
XLogP3.78
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.78
H-Bond Donors ≤ 53
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]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 135300695) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCc1nc(NCCC)nc(NCCOCCOCCN)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SWOGSVJZRKDBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N6O2/c1-3-5-6-7-8-9-10-11-12-20-26-21(24-14-4-2)28-22(27-20)25-15-17-30-19-18-29-16-13-23/h3-19,23H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 424.63 g/mol, XLogP of 3.78, 21 rotatable bonds, 3 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]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 135300695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).