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

C11H18N4O2 — CID 80861162

IUPAC4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCCC)nc(OC)n1
InChIInChI=1S/C11H18N4O2/c1-4-6-8-17-11-14-9(12-7-5-2)13-10(15-11)16-3/h4H,1,5-8H2,2-3H3,(H,12,13,14,15)
InChIKeyMBEDALHDPZVNLR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.66
Rot. Bonds8

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

4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80861162) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80861162
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCCC)nc(OC)n1
InChIInChI=1S/C11H18N4O2/c1-4-6-8-17-11-14-9(12-7-5-2)13-10(15-11)16-3/h4H,1,5-8H2,2-3H3,(H,12,13,14,15)
InChIKeyMBEDALHDPZVNLR-UHFFFAOYSA-N
XLogP1.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.66
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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Related Compounds

2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80878030
4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878028
2-N,2-N-diethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80870733
N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868544
4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862211
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739
4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80870922
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 80861162) is 4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine is C=CCCOc1nc(NCCC)nc(OC)n1.
What is the InChIKey of 4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is MBEDALHDPZVNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-6-8-17-11-14-9(12-7-5-2)13-10(15-11)16-3/h4H,1,5-8H2,2-3H3,(H,12,13,14,15).
What are the key properties of 4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 1.66, 8 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-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).