4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C15H28N6O3 — CID 23787663

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1
InChIInChI=1S/C15H28N6O3/c1-4-6-17-13-19-14(21-15(20-13)24-12(2)3)18-7-9-23-11-10-22-8-5-16/h4,12H,1,5-11,16H2,2-3H3,(H2,17,18,19,20,21)
InChIKeyYVMZSAWRWBLGAZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP0.66
Rot. Bonds14

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 23787663) has the molecular formula C15H28N6O3 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID23787663
Molecular FormulaC15H28N6O3
Molecular Weight340.43 g/mol
Exact Mass340.22
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1
InChIInChI=1S/C15H28N6O3/c1-4-6-17-13-19-14(21-15(20-13)24-12(2)3)18-7-9-23-11-10-22-8-5-16/h4,12H,1,5-11,16H2,2-3H3,(H2,17,18,19,20,21)
InChIKeyYVMZSAWRWBLGAZ-UHFFFAOYSA-N
XLogP0.66
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.66
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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 23845181
2-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827070
4-hydrazinyl-N-(2-methoxyethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80931989
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23872955
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 142808201
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
CID 155457194
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-imidazol-1-ylpropyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23787659
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 23787672
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-bromophenyl)methyl]-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23984676
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(3-hydroxypropylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23984367
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 80932481

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 23787663) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YVMZSAWRWBLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O3/c1-4-6-17-13-19-14(21-15(20-13)24-12(2)3)18-7-9-23-11-10-22-8-5-16/h4,12H,1,5-11,16H2,2-3H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 340.43 g/mol, XLogP of 0.66, 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]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23787663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).