4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

C13H22N4O2 — CID 80861654

IUPAC4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCCC)nc(OC(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-5-7-9-18-12-15-11(14-8-6-2)16-13(17-12)19-10(3)4/h5,10H,1,6-9H2,2-4H3,(H,14,15,16,17)
InChIKeyHSKDUYSDKCYGTG-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.44
Rot. Bonds9

About 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80861654) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80861654
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCCC)nc(OC(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-5-7-9-18-12-15-11(14-8-6-2)16-13(17-12)19-10(3)4/h5,10H,1,6-9H2,2-4H3,(H,14,15,16,17)
InChIKeyHSKDUYSDKCYGTG-UHFFFAOYSA-N
XLogP2.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (CID 80861654) is 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is C=CCCOc1nc(NCCC)nc(OC(C)C)n1.
What is the InChIKey of 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is HSKDUYSDKCYGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-7-9-18-12-15-11(14-8-6-2)16-13(17-12)19-10(3)4/h5,10H,1,6-9H2,2-4H3,(H,14,15,16,17).
What are the key properties of 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).