6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C20H37N7O3 — CID 23845162

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCCC2)n1
InChIInChI=1S/C20H37N7O3/c21-8-11-28-13-14-29-12-9-22-18-25-19(23-15-17-7-4-10-30-17)27-20(26-18)24-16-5-2-1-3-6-16/h16-17H,1-15,21H2,(H3,22,23,24,25,26,27)
InChIKeyYSVQNAGXZCFMTB-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.61
Rot. Bonds14

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23845162) has the molecular formula C20H37N7O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23845162
Molecular FormulaC20H37N7O3
Molecular Weight423.56 g/mol
Exact Mass423.30
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCCC2)n1
InChIInChI=1S/C20H37N7O3/c21-8-11-28-13-14-29-12-9-22-18-25-19(23-15-17-7-4-10-30-17)27-20(26-18)24-16-5-2-1-3-6-16/h16-17H,1-15,21H2,(H3,22,23,24,25,26,27)
InChIKeyYSVQNAGXZCFMTB-UHFFFAOYSA-N
XLogP1.61
TPSA128.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-4-N-(oxolan-2-ylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 76333202
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
CID 23816476
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclooctyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 24176174
2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 69806232
2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 91225017
(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758281
(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758282
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 23758301
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23758493
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-octyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23758497
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23758499
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23758538

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 23845162) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is NCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YSVQNAGXZCFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O3/c21-8-11-28-13-14-29-12-9-22-18-25-19(23-15-17-7-4-10-30-17)27-20(26-18)24-16-5-2-1-3-6-16/h16-17H,1-15,21H2,(H3,22,23,24,25,26,27).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 423.56 g/mol, XLogP of 1.61, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23845162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).