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

C23H44N6O2 — CID 23816108

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCNc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1
InChIInChI=1S/C23H44N6O2/c1-2-3-4-5-6-10-14-25-22-27-21(20-11-8-7-9-12-20)28-23(29-22)26-15-17-31-19-18-30-16-13-24/h20H,2-19,24H2,1H3,(H2,25,26,27,28,29)
InChIKeyLWDNQBSLWLUHBY-UHFFFAOYSA-N
MW436.65 g/mol
LogP4.10
Rot. Bonds18

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

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine (PubChem CID 23816108) has the molecular formula C23H44N6O2 and a molecular weight of 436.65 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine
PubChem CID23816108
Molecular FormulaC23H44N6O2
Molecular Weight436.65 g/mol
Exact Mass436.35
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCNc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1
InChIInChI=1S/C23H44N6O2/c1-2-3-4-5-6-10-14-25-22-27-21(20-11-8-7-9-12-20)28-23(29-22)26-15-17-31-19-18-30-16-13-24/h20H,2-19,24H2,1H3,(H2,25,26,27,28,29)
InChIKeyLWDNQBSLWLUHBY-UHFFFAOYSA-N
XLogP4.10
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.65
LogP ≤ 54.10
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 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine (CID 23816108) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine is CCCCCCCCNc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LWDNQBSLWLUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N6O2/c1-2-3-4-5-6-10-14-25-22-27-21(20-11-8-7-9-12-20)28-23(29-22)26-15-17-31-19-18-30-16-13-24/h20H,2-19,24H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine has a molecular weight of 436.65 g/mol, XLogP of 4.10, 18 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-cyclohexyl-4-N-octyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23816108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).