N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine

C11H18F3N5O — CID 157455900

IUPACN-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine
SMILESCC(=O)NCCCCCCN.Fc1nc(F)nc(F)n1
InChIInChI=1S/C8H18N2O.C3F3N3/c1-8(11)10-7-5-3-2-4-6-9;4-1-7-2(5)9-3(6)8-1/h2-7,9H2,1H3,(H,10,11);
InChIKeyBTIUVLWYMSMKAU-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.93
Rot. Bonds6

About N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine

N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine (PubChem CID 157455900) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine.

Molecular Properties

Compound NameN-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine
PubChem CID157455900
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC NameN-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine
SMILESCC(=O)NCCCCCCN.Fc1nc(F)nc(F)n1
InChIInChI=1S/C8H18N2O.C3F3N3/c1-8(11)10-7-5-3-2-4-6-9;4-1-7-2(5)9-3(6)8-1/h2-7,9H2,1H3,(H,10,11);
InChIKeyBTIUVLWYMSMKAU-UHFFFAOYSA-N
XLogP0.93
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
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 N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine?
The IUPAC name of N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine (CID 157455900) is N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine.
What is the SMILES notation for N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine?
The canonical SMILES for N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine is CC(=O)NCCCCCCN.Fc1nc(F)nc(F)n1.
What is the InChIKey of N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine?
The InChIKey is BTIUVLWYMSMKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C3F3N3/c1-8(11)10-7-5-3-2-4-6-9;4-1-7-2(5)9-3(6)8-1/h2-7,9H2,1H3,(H,10,11);.
What are the key properties of N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine?
N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine has a molecular weight of 293.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)acetamide;2,4,6-trifluoro-1,3,5-triazine is sourced from PubChem (CID 157455900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).