2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol

C17H31N5O4 — CID 22070343

IUPAC2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(NCCOCCO)nc(C2CCCCC2)n1
InChIInChI=1S/C17H31N5O4/c23-8-12-25-10-6-18-16-20-15(14-4-2-1-3-5-14)21-17(22-16)19-7-11-26-13-9-24/h14,23-24H,1-13H2,(H2,18,19,20,21,22)
InChIKeySJUGWDYNHOQKTG-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.76
Rot. Bonds13

About 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol

2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (PubChem CID 22070343) has the molecular formula C17H31N5O4 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
PubChem CID22070343
Molecular FormulaC17H31N5O4
Molecular Weight369.47 g/mol
Exact Mass369.24
IUPAC Name2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(NCCOCCO)nc(C2CCCCC2)n1
InChIInChI=1S/C17H31N5O4/c23-8-12-25-10-6-18-16-20-15(14-4-2-1-3-5-14)21-17(22-16)19-7-11-26-13-9-24/h14,23-24H,1-13H2,(H2,18,19,20,21,22)
InChIKeySJUGWDYNHOQKTG-UHFFFAOYSA-N
XLogP0.76
TPSA121.65 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

CID 22070337
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CID 53686404
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CID 53879374
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CID 54171418
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CID 54323972
CID 54323972
CID 67592285
CID 67592285
CID 67592793
CID 67592793
CID 67593026
CID 67593026
CID 89518909
CID 89518909
CID 117980068
CID 117980068
CID 23758052
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CID 23758057
CID 23758057

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (CID 22070343) is 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is OCCOCCNc1nc(NCCOCCO)nc(C2CCCCC2)n1.
What is the InChIKey of 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The InChIKey is SJUGWDYNHOQKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O4/c23-8-12-25-10-6-18-16-20-15(14-4-2-1-3-5-14)21-17(22-16)19-7-11-26-13-9-24/h14,23-24H,1-13H2,(H2,18,19,20,21,22).
What are the key properties of 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol has a molecular weight of 369.47 g/mol, XLogP of 0.76, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 22070343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).