2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine

C28H48N6O3 — CID 23984278

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(NCCOCCOCCN)nc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C28H48N6O3/c1-3-4-5-6-7-8-9-10-11-26-32-27(30-18-16-24-12-14-25(35-2)15-13-24)34-28(33-26)31-19-21-37-23-22-36-20-17-29/h12-15H,3-11,16-23,29H2,1-2H3,(H2,30,31,32,33,34)
InChIKeyDHHJZONKKKZIQM-UHFFFAOYSA-N
MW516.73 g/mol
LogP4.62
Rot. Bonds23

About 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 23984278) has the molecular formula C28H48N6O3 and a molecular weight of 516.73 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID23984278
Molecular FormulaC28H48N6O3
Molecular Weight516.73 g/mol
Exact Mass516.38
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(NCCOCCOCCN)nc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C28H48N6O3/c1-3-4-5-6-7-8-9-10-11-26-32-27(30-18-16-24-12-14-25(35-2)15-13-24)34-28(33-26)31-19-21-37-23-22-36-20-17-29/h12-15H,3-11,16-23,29H2,1-2H3,(H2,30,31,32,33,34)
InChIKeyDHHJZONKKKZIQM-UHFFFAOYSA-N
XLogP4.62
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.73
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-fluorophenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 23787587
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 23844781
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(2-phenylethyl)-2-N-[[2-(2-phenylethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 23787613
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
N-[2-[2-[2-[[4-[(4-methoxyphenyl)methylamino]-6-(octylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23928989
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4-[(4-methoxyphenyl)methylamino]-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23956690
1-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-4-N-(3,3-diphenylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 23984657
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(butylamino)-6-[2-(4-formylphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23928802
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(2-hydroxyethylamino)-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23758160
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 23984278) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine is CCCCCCCCCCc1nc(NCCOCCOCCN)nc(NCCc2ccc(OC)cc2)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DHHJZONKKKZIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N6O3/c1-3-4-5-6-7-8-9-10-11-26-32-27(30-18-16-24-12-14-25(35-2)15-13-24)34-28(33-26)31-19-21-37-23-22-36-20-17-29/h12-15H,3-11,16-23,29H2,1-2H3,(H2,30,31,32,33,34).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 516.73 g/mol, XLogP of 4.62, 23 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23984278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).