2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C16H32N6O3 — CID 23758517

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1
InChIInChI=1S/C16H32N6O3/c1-4-5-7-18-14-20-15(22-16(21-14)25-13(2)3)19-8-10-24-12-11-23-9-6-17/h13H,4-12,17H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyYCZFGKJAABEQBG-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.27
Rot. Bonds15

About 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 23758517) has the molecular formula C16H32N6O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID23758517
Molecular FormulaC16H32N6O3
Molecular Weight356.47 g/mol
Exact Mass356.25
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1
InChIInChI=1S/C16H32N6O3/c1-4-5-7-18-14-20-15(22-16(21-14)25-13(2)3)19-8-10-24-12-11-23-9-6-17/h13H,4-12,17H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyYCZFGKJAABEQBG-UHFFFAOYSA-N
XLogP1.27
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.27
H-Bond Donors ≤ 53
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 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 23758517) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCCCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is YCZFGKJAABEQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6O3/c1-4-5-7-18-14-20-15(22-16(21-14)25-13(2)3)19-8-10-24-12-11-23-9-6-17/h13H,4-12,17H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 356.47 g/mol, XLogP of 1.27, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).