N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

C12H21F3N2 — CID 114130093

IUPACN-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C(C)CC(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-8(7-12(13,14)15)17-10-3-4-11(17)6-9(5-10)16-2/h8-11,16H,3-7H2,1-2H3
InChIKeyUDKWPJDDLKMITH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.54
Rot. Bonds3

About N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114130093) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114130093
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C(C)CC(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-8(7-12(13,14)15)17-10-3-4-11(17)6-9(5-10)16-2/h8-11,16H,3-7H2,1-2H3
InChIKeyUDKWPJDDLKMITH-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 408394
endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 736442
2-(2-Pyrrolidin-1-ylethyl)piperidine
CID 231871
8-(2,2,2-Trifluoroethyl)-8-azabicyclo(3.2.1)octan-3-amine dihydrochloride
CID 18919606
3,3-Difluoro-8-azabicyclo(3.2.1)octane hydrochloride
CID 57416927
8-(Propan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
CID 67212524
(1R,3R,5S)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
CID 70194578
N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 2836880
N-cycloheptyl-1-ethyl-4-piperidinamine
CID 784532
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642
N,8-dimethyl-8-azabicyclo[3.2.1]octan-6-amine
CID 165979720
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]cycloheptanamine
CID 2845256

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 114130093) is N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2C(C)CC(F)(F)F.
What is the InChIKey of N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UDKWPJDDLKMITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-8(7-12(13,14)15)17-10-3-4-11(17)6-9(5-10)16-2/h8-11,16H,3-7H2,1-2H3.
What are the key properties of N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(4,4,4-trifluorobutan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114130093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).