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

C17H30N6O3 — CID 23816528

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NC2CCCC2)n1
InChIInChI=1S/C17H30N6O3/c1-2-9-26-17-22-15(19-8-11-25-13-12-24-10-7-18)21-16(23-17)20-14-5-3-4-6-14/h2,14H,1,3-13,18H2,(H2,19,20,21,22,23)
InChIKeyIQLYXEXIAHTAIU-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.19
Rot. Bonds14

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 23816528) has the molecular formula C17H30N6O3 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID23816528
Molecular FormulaC17H30N6O3
Molecular Weight366.47 g/mol
Exact Mass366.24
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NC2CCCC2)n1
InChIInChI=1S/C17H30N6O3/c1-2-9-26-17-22-15(19-8-11-25-13-12-24-10-7-18)21-16(23-17)20-14-5-3-4-6-14/h2,14H,1,3-13,18H2,(H2,19,20,21,22,23)
InChIKeyIQLYXEXIAHTAIU-UHFFFAOYSA-N
XLogP1.19
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 23816528) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-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-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NCCOCCOCCN)nc(NC2CCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is IQLYXEXIAHTAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O3/c1-2-9-26-17-22-15(19-8-11-25-13-12-24-10-7-18)21-16(23-17)20-14-5-3-4-6-14/h2,14H,1,3-13,18H2,(H2,19,20,21,22,23).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 366.47 g/mol, XLogP of 1.19, 14 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-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23816528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).