N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C15H20F3N3 — CID 61011927

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCN1C2CCC1CC(CNc1ncccc1C(F)(F)F)C2
InChIInChI=1S/C15H20F3N3/c1-21-11-4-5-12(21)8-10(7-11)9-20-14-13(15(16,17)18)3-2-6-19-14/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,19,20)
InChIKeyMPGRRZNGCFKVDF-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.39
Rot. Bonds3

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 61011927) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID61011927
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCN1C2CCC1CC(CNc1ncccc1C(F)(F)F)C2
InChIInChI=1S/C15H20F3N3/c1-21-11-4-5-12(21)8-10(7-11)9-20-14-13(15(16,17)18)3-2-6-19-14/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,19,20)
InChIKeyMPGRRZNGCFKVDF-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 61011927) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine is CN1C2CCC1CC(CNc1ncccc1C(F)(F)F)C2.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MPGRRZNGCFKVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-21-11-4-5-12(21)8-10(7-11)9-20-14-13(15(16,17)18)3-2-6-19-14/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,19,20).
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 299.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 61011927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).