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

C16H28N6O3 — CID 23901108

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C16H28N6O3/c1-2-9-25-16-20-14(18-6-11-24-13-12-23-10-5-17)19-15(21-16)22-7-3-4-8-22/h2H,1,3-13,17H2,(H,18,19,20,21)
InChIKeyYNAJHYFINZBBGU-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.44
Rot. Bonds13

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 23901108) has the molecular formula C16H28N6O3 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID23901108
Molecular FormulaC16H28N6O3
Molecular Weight352.44 g/mol
Exact Mass352.22
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C16H28N6O3/c1-2-9-25-16-20-14(18-6-11-24-13-12-23-10-5-17)19-15(21-16)22-7-3-4-8-22/h2H,1,3-13,17H2,(H,18,19,20,21)
InChIKeyYNAJHYFINZBBGU-UHFFFAOYSA-N
XLogP0.44
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.44
H-Bond Donors ≤ 52
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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Related Compounds

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23758515
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23816528
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23816537
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 23845180
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23929100
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23956875
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23956927
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 23956929
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23984655
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 24012589
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 24012591
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 24012595

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 23901108) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C=CCOc1nc(NCCOCCOCCN)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YNAJHYFINZBBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O3/c1-2-9-25-16-20-14(18-6-11-24-13-12-23-10-5-17)19-15(21-16)22-7-3-4-8-22/h2H,1,3-13,17H2,(H,18,19,20,21).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 0.44, 13 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-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23901108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).