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

C11H20F3N3 — CID 79174434

IUPAC3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine
SMILESCN1C2CCC1CN(C(CN)C(F)(F)F)CC2
InChIInChI=1S/C11H20F3N3/c1-16-8-2-3-9(16)7-17(5-4-8)10(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyTZUPPMHXZMLFHB-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.04
Rot. Bonds2

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

3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine (PubChem CID 79174434) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine
PubChem CID79174434
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine
SMILESCN1C2CCC1CN(C(CN)C(F)(F)F)CC2
InChIInChI=1S/C11H20F3N3/c1-16-8-2-3-9(16)7-17(5-4-8)10(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyTZUPPMHXZMLFHB-UHFFFAOYSA-N
XLogP1.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine (CID 79174434) is 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine is CN1C2CCC1CN(C(CN)C(F)(F)F)CC2.
What is the InChIKey of 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine?
The InChIKey is TZUPPMHXZMLFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-16-8-2-3-9(16)7-17(5-4-8)10(6-15)11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine?
3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-amine is sourced from PubChem (CID 79174434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).