N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine

C13H23F3N2 — CID 113328114

IUPACN-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-17-10-8-11-4-2-5-12(9-10)18(11)7-3-6-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyZFNPWLHFUGASGD-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.93
Rot. Bonds4

About N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 113328114) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID113328114
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-17-10-8-11-4-2-5-12(9-10)18(11)7-3-6-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyZFNPWLHFUGASGD-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 113328114) is N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CCCC(F)(F)F.
What is the InChIKey of N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ZFNPWLHFUGASGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-17-10-8-11-4-2-5-12(9-10)18(11)7-3-6-13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 264.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 113328114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).