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

C16H28N6O3 — CID 23929100

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NC2CCC2)n1
InChIInChI=1S/C16H28N6O3/c1-2-8-25-16-21-14(18-7-10-24-12-11-23-9-6-17)20-15(22-16)19-13-4-3-5-13/h2,13H,1,3-12,17H2,(H2,18,19,20,21,22)
InChIKeyDPIODGDNJRWOEG-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.80
Rot. Bonds14

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 23929100) has the molecular formula C16H28N6O3 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID23929100
Molecular FormulaC16H28N6O3
Molecular Weight352.44 g/mol
Exact Mass352.22
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NC2CCC2)n1
InChIInChI=1S/C16H28N6O3/c1-2-8-25-16-21-14(18-7-10-24-12-11-23-9-6-17)20-15(22-16)19-13-4-3-5-13/h2,13H,1,3-12,17H2,(H2,18,19,20,21,22)
InChIKeyDPIODGDNJRWOEG-UHFFFAOYSA-N
XLogP0.80
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.80
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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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-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23758516
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23816463
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-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 23845180
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23873074
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclooctyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23901105
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23901108
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-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23956925
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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-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-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 23929100) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-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-cyclobutyl-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-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NCCOCCOCCN)nc(NC2CCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is DPIODGDNJRWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O3/c1-2-8-25-16-21-14(18-7-10-24-12-11-23-9-6-17)20-15(22-16)19-13-4-3-5-13/h2,13H,1,3-12,17H2,(H2,18,19,20,21,22).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 352.44 g/mol, XLogP of 0.80, 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-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23929100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).