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

C13H24F3N3 — CID 79170318

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H24F3N3/c1-10(7-17-9-13(14,15)16)19-6-5-11-3-4-12(8-19)18(11)2/h10-12,17H,3-9H2,1-2H3
InChIKeyRGMZQUQAULAJPV-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.70
Rot. Bonds4

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

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 79170318) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID79170318
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H24F3N3/c1-10(7-17-9-13(14,15)16)19-6-5-11-3-4-12(8-19)18(11)2/h10-12,17H,3-9H2,1-2H3
InChIKeyRGMZQUQAULAJPV-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 79170318) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is RGMZQUQAULAJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-10(7-17-9-13(14,15)16)19-6-5-11-3-4-12(8-19)18(11)2/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 79170318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).