N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine

C9H15F3N2 — CID 105366106

IUPACN-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCNC1(C(F)(F)F)CCN2CCC1C2
InChIInChI=1S/C9H15F3N2/c1-13-8(9(10,11)12)3-5-14-4-2-7(8)6-14/h7,13H,2-6H2,1H3
InChIKeyMNDXMRQQRHLLTQ-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.23
Rot. Bonds1

About N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine

N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105366106) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105366106
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC NameN-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCNC1(C(F)(F)F)CCN2CCC1C2
InChIInChI=1S/C9H15F3N2/c1-13-8(9(10,11)12)3-5-14-4-2-7(8)6-14/h7,13H,2-6H2,1H3
InChIKeyMNDXMRQQRHLLTQ-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105366106) is N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine is CNC1(C(F)(F)F)CCN2CCC1C2.
What is the InChIKey of N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is MNDXMRQQRHLLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-13-8(9(10,11)12)3-5-14-4-2-7(8)6-14/h7,13H,2-6H2,1H3.
What are the key properties of N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 208.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105366106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).