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

C16H30N6O3 — CID 23816103

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(NCCOCCOCCN)nc(N2CCOCC2)n1
InChIInChI=1S/C16H30N6O3/c1-13(2)14-19-15(18-4-8-24-12-11-23-7-3-17)21-16(20-14)22-5-9-25-10-6-22/h13H,3-12,17H2,1-2H3,(H,18,19,20,21)
InChIKeyVRZMGBVEUWPBCB-UHFFFAOYSA-N
MW354.46 g/mol
LogP0.24
Rot. Bonds11

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 23816103) has the molecular formula C16H30N6O3 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID23816103
Molecular FormulaC16H30N6O3
Molecular Weight354.46 g/mol
Exact Mass354.24
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(NCCOCCOCCN)nc(N2CCOCC2)n1
InChIInChI=1S/C16H30N6O3/c1-13(2)14-19-15(18-4-8-24-12-11-23-7-3-17)21-16(20-14)22-5-9-25-10-6-22/h13H,3-12,17H2,1-2H3,(H,18,19,20,21)
InChIKeyVRZMGBVEUWPBCB-UHFFFAOYSA-N
XLogP0.24
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 23816103) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(NCCOCCOCCN)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is VRZMGBVEUWPBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O3/c1-13(2)14-19-15(18-4-8-24-12-11-23-7-3-17)21-16(20-14)22-5-9-25-10-6-22/h13H,3-12,17H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 354.46 g/mol, XLogP of 0.24, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23816103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).