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

C20H37N7O2 — CID 23816476

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NC2CCCCC2)nc(NC2CCCC2)n1
InChIInChI=1S/C20H37N7O2/c21-10-12-28-14-15-29-13-11-22-18-25-19(23-16-6-2-1-3-7-16)27-20(26-18)24-17-8-4-5-9-17/h16-17H,1-15,21H2,(H3,22,23,24,25,26,27)
InChIKeyNPAONPWJNDICRV-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.37
Rot. Bonds13

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

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23816476) has the molecular formula C20H37N7O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23816476
Molecular FormulaC20H37N7O2
Molecular Weight407.56 g/mol
Exact Mass407.30
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NC2CCCCC2)nc(NC2CCCC2)n1
InChIInChI=1S/C20H37N7O2/c21-10-12-28-14-15-29-13-11-22-18-25-19(23-16-6-2-1-3-7-16)27-20(26-18)24-17-8-4-5-9-17/h16-17H,1-15,21H2,(H3,22,23,24,25,26,27)
InChIKeyNPAONPWJNDICRV-UHFFFAOYSA-N
XLogP2.37
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.37
H-Bond Donors ≤ 54
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]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine (CID 23816476) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine is NCCOCCOCCNc1nc(NC2CCCCC2)nc(NC2CCCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NPAONPWJNDICRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O2/c21-10-12-28-14-15-29-13-11-22-18-25-19(23-16-6-2-1-3-7-16)27-20(26-18)24-17-8-4-5-9-17/h16-17H,1-15,21H2,(H3,22,23,24,25,26,27).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 407.56 g/mol, XLogP of 2.37, 13 rotatable bonds, 4 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]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23816476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).