1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine

C13H24F3N3 — CID 79174854

IUPAC1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine
SMILESCCC(N)C(N1CCC2CCC(C1)N2C)C(F)(F)F
InChIInChI=1S/C13H24F3N3/c1-3-11(17)12(13(14,15)16)19-7-6-9-4-5-10(8-19)18(9)2/h9-12H,3-8,17H2,1-2H3
InChIKeyTYQJXYAAQUFXQK-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.82
Rot. Bonds3

About 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine

1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine (PubChem CID 79174854) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine
PubChem CID79174854
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine
SMILESCCC(N)C(N1CCC2CCC(C1)N2C)C(F)(F)F
InChIInChI=1S/C13H24F3N3/c1-3-11(17)12(13(14,15)16)19-7-6-9-4-5-10(8-19)18(9)2/h9-12H,3-8,17H2,1-2H3
InChIKeyTYQJXYAAQUFXQK-UHFFFAOYSA-N
XLogP1.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine (CID 79174854) is 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine is CCC(N)C(N1CCC2CCC(C1)N2C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine?
The InChIKey is TYQJXYAAQUFXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-3-11(17)12(13(14,15)16)19-7-6-9-4-5-10(8-19)18(9)2/h9-12H,3-8,17H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine?
1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine has a molecular weight of 279.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-3-amine is sourced from PubChem (CID 79174854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).