6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine

C22H43N7O2 — CID 23758455

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(NCCOCCOCCN)nc(NC2CCCC2)n1
InChIInChI=1S/C22H43N7O2/c1-3-5-13-29(14-6-4-2)22-27-20(24-12-16-31-18-17-30-15-11-23)26-21(28-22)25-19-9-7-8-10-19/h19H,3-18,23H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyMSKFGTNETZVBAU-UHFFFAOYSA-N
MW437.63 g/mol
LogP3.04
Rot. Bonds18

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23758455) has the molecular formula C22H43N7O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23758455
Molecular FormulaC22H43N7O2
Molecular Weight437.63 g/mol
Exact Mass437.35
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(NCCOCCOCCN)nc(NC2CCCC2)n1
InChIInChI=1S/C22H43N7O2/c1-3-5-13-29(14-6-4-2)22-27-20(24-12-16-31-18-17-30-15-11-23)26-21(28-22)25-19-9-7-8-10-19/h19H,3-18,23H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyMSKFGTNETZVBAU-UHFFFAOYSA-N
XLogP3.04
TPSA110.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine (CID 23758455) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(NCCOCCOCCN)nc(NC2CCCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MSKFGTNETZVBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N7O2/c1-3-5-13-29(14-6-4-2)22-27-20(24-12-16-31-18-17-30-15-11-23)26-21(28-22)25-19-9-7-8-10-19/h19H,3-18,23H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 437.63 g/mol, XLogP of 3.04, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23758455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).