4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine

C10H18F3N3 — CID 105365225

IUPAC4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESNCC1(NCC(F)(F)F)CCN2CCC1C2
InChIInChI=1S/C10H18F3N3/c11-10(12,13)7-15-9(6-14)2-4-16-3-1-8(9)5-16/h8,15H,1-7,14H2
InChIKeyNPHJNAQVANYGIF-UHFFFAOYSA-N
MW237.27 g/mol
LogP0.56
Rot. Bonds3

About 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365225) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365225
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESNCC1(NCC(F)(F)F)CCN2CCC1C2
InChIInChI=1S/C10H18F3N3/c11-10(12,13)7-15-9(6-14)2-4-16-3-1-8(9)5-16/h8,15H,1-7,14H2
InChIKeyNPHJNAQVANYGIF-UHFFFAOYSA-N
XLogP0.56
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105365225) is 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine is NCC1(NCC(F)(F)F)CCN2CCC1C2.
What is the InChIKey of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is NPHJNAQVANYGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c11-10(12,13)7-15-9(6-14)2-4-16-3-1-8(9)5-16/h8,15H,1-7,14H2.
What are the key properties of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 237.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).