4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C19H35N7O2 — CID 23929046

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NC2CCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H35N7O2/c20-8-12-27-14-15-28-13-9-21-17-23-18(22-16-6-2-3-7-16)25-19(24-17)26-10-4-1-5-11-26/h16H,1-15,20H2,(H2,21,22,23,24,25)
InChIKeyUECYQURCEMVKJS-UHFFFAOYSA-N
MW393.54 g/mol
LogP1.62
Rot. Bonds12

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23929046) has the molecular formula C19H35N7O2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23929046
Molecular FormulaC19H35N7O2
Molecular Weight393.54 g/mol
Exact Mass393.29
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NC2CCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H35N7O2/c20-8-12-27-14-15-28-13-9-21-17-23-18(22-16-6-2-3-7-16)25-19(24-17)26-10-4-1-5-11-26/h16H,1-15,20H2,(H2,21,22,23,24,25)
InChIKeyUECYQURCEMVKJS-UHFFFAOYSA-N
XLogP1.62
TPSA110.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 51.62
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 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23929046) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(NC2CCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UECYQURCEMVKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N7O2/c20-8-12-27-14-15-28-13-9-21-17-23-18(22-16-6-2-3-7-16)25-19(24-17)26-10-4-1-5-11-26/h16H,1-15,20H2,(H2,21,22,23,24,25).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 393.54 g/mol, XLogP of 1.62, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23929046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).