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

C12H20N4O2 — CID 80862211

IUPAC4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCC)nc(OC(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-5-7-8-17-11-14-10(13-6-2)15-12(16-11)18-9(3)4/h5,9H,1,6-8H2,2-4H3,(H,13,14,15,16)
InChIKeyYGOHHIDWRANFPD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.05
Rot. Bonds8

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

4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80862211) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80862211
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCC)nc(OC(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-5-7-8-17-11-14-10(13-6-2)15-12(16-11)18-9(3)4/h5,9H,1,6-8H2,2-4H3,(H,13,14,15,16)
InChIKeyYGOHHIDWRANFPD-UHFFFAOYSA-N
XLogP2.05
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.05
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'}

Analyze 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-but-3-enoxy-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861655
4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861844
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162
4-(cyclopropylmethoxy)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80865601
4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80877210
N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868544
4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80842496
4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80859393
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83145978
4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296179

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80862211) is 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is C=CCCOc1nc(NCC)nc(OC(C)C)n1.
What is the InChIKey of 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is YGOHHIDWRANFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-7-8-17-11-14-10(13-6-2)15-12(16-11)18-9(3)4/h5,9H,1,6-8H2,2-4H3,(H,13,14,15,16).
What are the key properties of 4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.05, 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-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80862211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).