3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine

C11H21F3N2 — CID 145332353

IUPAC3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine
SMILESCN1CC2CCC(C2)C1.NCCC(F)(F)F
InChIInChI=1S/C8H15N.C3H6F3N/c1-9-5-7-2-3-8(4-7)6-9;4-3(5,6)1-2-7/h7-8H,2-6H2,1H3;1-2,7H2
InChIKeyNYXVGBNATKJJPX-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.25
Rot. Bonds1

About 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine

3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine (PubChem CID 145332353) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine
PubChem CID145332353
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine
SMILESCN1CC2CCC(C2)C1.NCCC(F)(F)F
InChIInChI=1S/C8H15N.C3H6F3N/c1-9-5-7-2-3-8(4-7)6-9;4-3(5,6)1-2-7/h7-8H,2-6H2,1H3;1-2,7H2
InChIKeyNYXVGBNATKJJPX-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-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

3,3,3-tri(18F)fluoropropan-1-amine
CID 10154023
1,4-dimethylpiperidine;3-methyl-3-azabicyclo[3.2.1]octane
CID 176562106
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
2-(3-azabicyclo[3.2.1]octan-3-yl)-N-methylethanamine
CID 83980400
3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine
CID 105459090
(2-ethoxy-4-pyridinyl)methanamine;3-methyl-3-azabicyclo[3.2.1]octane
CID 163390474
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
3-azabicyclo[3.2.1]octan-3-amine
CID 89097210
1-(3,3,3-trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine
CID 62535883

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine?
The IUPAC name of 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine (CID 145332353) is 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine is CN1CC2CCC(C2)C1.NCCC(F)(F)F.
What is the InChIKey of 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine?
The InChIKey is NYXVGBNATKJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C3H6F3N/c1-9-5-7-2-3-8(4-7)6-9;4-3(5,6)1-2-7/h7-8H,2-6H2,1H3;1-2,7H2.
What are the key properties of 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine?
3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[3.2.1]octane;3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 145332353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).