N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine

C11H19F3N2 — CID 66204970

IUPACN-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCNC1(C(F)(F)F)CN2CCC1CC2
InChIInChI=1S/C11H19F3N2/c1-2-5-15-10(11(12,13)14)8-16-6-3-9(10)4-7-16/h9,15H,2-8H2,1H3
InChIKeyFYMRQDCQVPXOJJ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds3

About N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine

N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 66204970) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID66204970
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCNC1(C(F)(F)F)CN2CCC1CC2
InChIInChI=1S/C11H19F3N2/c1-2-5-15-10(11(12,13)14)8-16-6-3-9(10)4-7-16/h9,15H,2-8H2,1H3
InChIKeyFYMRQDCQVPXOJJ-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quinuclidine, 2-((2-diethylaminoethyl)aminomethyl)-
CID 3053134
3-Methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 55289838
3-Methyl-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride
CID 122156649
N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 19775384
3-Ethylaminoquinuclidine
CID 19849160
1-Piperidin-3-yl-4-(trifluoromethyl)piperidine
CID 65538181
3,3-Difluoro-4-(1-methylpiperidin-4-yl)piperidine
CID 105426917
1-(Piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine
CID 115101266
N,4-dimethyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
CID 134505351
2-(Difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine
CID 154671252
N,4-dimethylpentan-2-amine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-methyl-3-(trifluoromethyl)piperidine;N,3,4-trimethylpentan-2-amine
CID 160546880
(3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine
CID 166934624

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 66204970) is N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine is CCCNC1(C(F)(F)F)CN2CCC1CC2.
What is the InChIKey of N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is FYMRQDCQVPXOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-5-15-10(11(12,13)14)8-16-6-3-9(10)4-7-16/h9,15H,2-8H2,1H3.
What are the key properties of N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 236.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(trifluoromethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 66204970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).