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

C25H46N8O2 — CID 23844781

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(NCCCn2ccnc2)nc(NCCOCCOCCN)n1
InChIInChI=1S/C25H46N8O2/c1-2-3-4-5-6-7-8-9-11-23-30-24(28-13-10-16-33-17-14-27-22-33)32-25(31-23)29-15-19-35-21-20-34-18-12-26/h14,17,22H,2-13,15-16,18-21,26H2,1H3,(H2,28,29,30,31,32)
InChIKeyRRPVXHJUPKLVLT-UHFFFAOYSA-N
MW490.70 g/mol
LogP3.66
Rot. Bonds23

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

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23844781) has the molecular formula C25H46N8O2 and a molecular weight of 490.70 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID23844781
Molecular FormulaC25H46N8O2
Molecular Weight490.70 g/mol
Exact Mass490.37
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1nc(NCCCn2ccnc2)nc(NCCOCCOCCN)n1
InChIInChI=1S/C25H46N8O2/c1-2-3-4-5-6-7-8-9-11-23-30-24(28-13-10-16-33-17-14-27-22-33)32-25(31-23)29-15-19-35-21-20-34-18-12-26/h14,17,22H,2-13,15-16,18-21,26H2,1H3,(H2,28,29,30,31,32)
InChIKeyRRPVXHJUPKLVLT-UHFFFAOYSA-N
XLogP3.66
TPSA125.03 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.70
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3,3-diphenylpropyl)-6-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 23901017
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-(4-chlorophenyl)-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 23816109
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
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
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
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
2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80757025
2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841533
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
nonyl 8-(3-imidazol-1-ylpropylamino)octanoate
CID 177020233
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-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-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine is CCCCCCCCCCc1nc(NCCCn2ccnc2)nc(NCCOCCOCCN)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RRPVXHJUPKLVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N8O2/c1-2-3-4-5-6-7-8-9-11-23-30-24(28-13-10-16-33-17-14-27-22-33)32-25(31-23)29-15-19-35-21-20-34-18-12-26/h14,17,22H,2-13,15-16,18-21,26H2,1H3,(H2,28,29,30,31,32).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 490.70 g/mol, XLogP of 3.66, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23844781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).