N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine

C17H32N4O3 — CID 71124112

IUPACN-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCCOCCOCCOCCNc1nc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C17H32N4O3/c1-6-22-9-10-24-12-11-23-8-7-18-17-20-15(13(2)3)19-16(21-17)14(4)5/h13-14H,6-12H2,1-5H3,(H,18,19,20,21)
InChIKeyAGLDMYZMDKNLML-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.60
Rot. Bonds13

About N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine

N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 71124112) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine
PubChem CID71124112
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC NameN-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCCOCCOCCOCCNc1nc(C(C)C)nc(C(C)C)n1
InChIInChI=1S/C17H32N4O3/c1-6-22-9-10-24-12-11-23-8-7-18-17-20-15(13(2)3)19-16(21-17)14(4)5/h13-14H,6-12H2,1-5H3,(H,18,19,20,21)
InChIKeyAGLDMYZMDKNLML-UHFFFAOYSA-N
XLogP2.60
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine (CID 71124112) is N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine is CCOCCOCCOCCNc1nc(C(C)C)nc(C(C)C)n1.
What is the InChIKey of N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is AGLDMYZMDKNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-6-22-9-10-24-12-11-23-8-7-18-17-20-15(13(2)3)19-16(21-17)14(4)5/h13-14H,6-12H2,1-5H3,(H,18,19,20,21).
What are the key properties of N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine?
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 340.47 g/mol, XLogP of 2.60, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4,6-di(propan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71124112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).