N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

C17H31N7O2 — CID 23929016

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNCCOCCOCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H31N7O2/c18-5-11-25-13-14-26-12-6-19-15-20-16(23-7-1-2-8-23)22-17(21-15)24-9-3-4-10-24/h1-14,18H2,(H,19,20,21,22)
InChIKeyZBJPTIHUNBLKLZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP0.48
Rot. Bonds11

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 23929016) has the molecular formula C17H31N7O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID23929016
Molecular FormulaC17H31N7O2
Molecular Weight365.48 g/mol
Exact Mass365.25
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNCCOCCOCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C17H31N7O2/c18-5-11-25-13-14-26-12-6-19-15-20-16(23-7-1-2-8-23)22-17(21-15)24-9-3-4-10-24/h1-14,18H2,(H,19,20,21,22)
InChIKeyZBJPTIHUNBLKLZ-UHFFFAOYSA-N
XLogP0.48
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.48
H-Bond Donors ≤ 52
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 N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 23929016) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is NCCOCCOCCNc1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZBJPTIHUNBLKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O2/c18-5-11-25-13-14-26-12-6-19-15-20-16(23-7-1-2-8-23)22-17(21-15)24-9-3-4-10-24/h1-14,18H2,(H,19,20,21,22).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 365.48 g/mol, XLogP of 0.48, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23929016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).