4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine

C15H27ClN4O — CID 63505765

IUPAC4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine
SMILESCCCCCCCCOc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C15H27ClN4O/c1-4-7-8-9-10-11-12-21-15-18-13(16)17-14(19-15)20(5-2)6-3/h4-12H2,1-3H3
InChIKeyWECHAZZNKVGUAV-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.11
Rot. Bonds11

About 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine (PubChem CID 63505765) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine
PubChem CID63505765
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine
SMILESCCCCCCCCOc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C15H27ClN4O/c1-4-7-8-9-10-11-12-21-15-18-13(16)17-14(19-15)20(5-2)6-3/h4-12H2,1-3H3
InChIKeyWECHAZZNKVGUAV-UHFFFAOYSA-N
XLogP4.11
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine (CID 63505765) is 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine is CCCCCCCCOc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine?
The InChIKey is WECHAZZNKVGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4O/c1-4-7-8-9-10-11-12-21-15-18-13(16)17-14(19-15)20(5-2)6-3/h4-12H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine has a molecular weight of 314.86 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-octoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63505765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).