(7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine

C11H21FN2 — CID 115022063

IUPAC(7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
SMILESCN1CC2CC(C)(F)CC(C1)C2CN
InChIInChI=1S/C11H21FN2/c1-11(12)3-8-6-14(2)7-9(4-11)10(8)5-13/h8-10H,3-7,13H2,1-2H3
InChIKeyVZEANCIGXMWCAV-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.26
Rot. Bonds1

About (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine

(7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine (PubChem CID 115022063) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
PubChem CID115022063
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name(7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
SMILESCN1CC2CC(C)(F)CC(C1)C2CN
InChIInChI=1S/C11H21FN2/c1-11(12)3-8-6-14(2)7-9(4-11)10(8)5-13/h8-10H,3-7,13H2,1-2H3
InChIKeyVZEANCIGXMWCAV-UHFFFAOYSA-N
XLogP1.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
CID 115020856
2-(3,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-9-yl)ethanamine
CID 115027150
7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 115029171
7-methyl-7-azatricyclo[3.3.1.03,9]nonan-3-amine
CID 123304535
3-fluoro-3-methylbicyclo[3.3.1]nonan-9-amine
CID 115013911
3-fluoro-1,3-dimethylazetidine
CID 89296536
ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 177136991
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
(2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)methanamine
CID 130003083
[(1R,6R,7R)-3-methyl-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 92547246
(3aS,6aR)-4,4-difluoro-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 177157131
(4-ethyl-1-methylpyrrolidin-3-yl)methanamine
CID 84762713

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine?
The IUPAC name of (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine (CID 115022063) is (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine.
What is the SMILES notation for (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine?
The canonical SMILES for (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine is CN1CC2CC(C)(F)CC(C1)C2CN.
What is the InChIKey of (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine?
The InChIKey is VZEANCIGXMWCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-11(12)3-8-6-14(2)7-9(4-11)10(8)5-13/h8-10H,3-7,13H2,1-2H3.
What are the key properties of (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine?
(7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine has a molecular weight of 200.30 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine is sourced from PubChem (CID 115022063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).