N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C13H23F3N2 — CID 79614781

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC1CC2CCC(C1)N2)CCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-18(7-5-13(14,15)16)6-4-10-8-11-2-3-12(9-10)17-11/h10-12,17H,2-9H2,1H3
InChIKeyXELTXPAPPJHYLN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 79614781) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID79614781
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC1CC2CCC(C1)N2)CCC(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-18(7-5-13(14,15)16)6-4-10-8-11-2-3-12(9-10)17-11/h10-12,17H,2-9H2,1H3
InChIKeyXELTXPAPPJHYLN-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-methylethanamine
CID 79615266
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine
CID 79615063
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112661243
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 79614978
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 79615192
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyloxolan-3-amine
CID 82739082
N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine
CID 79614979
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 79614981
N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 116535628
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
CID 107399300
3-butyl-8-azabicyclo[3.2.1]octane
CID 68907966

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 79614781) is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CN(CCC1CC2CCC(C1)N2)CCC(F)(F)F.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is XELTXPAPPJHYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-18(7-5-13(14,15)16)6-4-10-8-11-2-3-12(9-10)17-11/h10-12,17H,2-9H2,1H3.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 79614781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).