1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine

C12H21F2N — CID 155312214

IUPAC1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine
SMILESCNCC1(C)C[C@](C)(F)CC2CC2[C@@H]1F
InChIInChI=1S/C12H21F2N/c1-11(7-15-3)6-12(2,14)5-8-4-9(8)10(11)13/h8-10,15H,4-7H2,1-3H3/t8?,9?,10-,11?,12+/m0/s1
InChIKeyBWHIANAGUVWICH-TXIHYXHLSA-N
MW217.30 g/mol
LogP2.71
Rot. Bonds2

About 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine

1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine (PubChem CID 155312214) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine
PubChem CID155312214
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine
SMILESCNCC1(C)C[C@](C)(F)CC2CC2[C@@H]1F
InChIInChI=1S/C12H21F2N/c1-11(7-15-3)6-12(2,14)5-8-4-9(8)10(11)13/h8-10,15H,4-7H2,1-3H3/t8?,9?,10-,11?,12+/m0/s1
InChIKeyBWHIANAGUVWICH-TXIHYXHLSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine with MolForge

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Related Compounds

1-(2-cyclobutyl-1-methylcyclopropyl)-N-methylmethanamine
CID 174309123
1-(1-tert-butyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 83695371
1-(1-fluorocyclopropyl)-N-methylmethanamine
CID 84647620
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
3,3-difluoro-N-methyl-1-(methylaminomethyl)cyclobutan-1-amine;ethane
CID 178106563
1-(3-ethyl-1-methylcyclobutyl)-N-methylmethanamine
CID 144959296
1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine
CID 121207584
(7-fluoro-3,7-dimethyl-3-azabicyclo[3.3.1]nonan-9-yl)methanamine
CID 115022063
ethane;1-(1-ethyl-3-methylcyclopentyl)-N-methylmethanamine
CID 144836512
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
CID 91591704
1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine
CID 54256172
(1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
CID 130291086

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine?
The IUPAC name of 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine (CID 155312214) is 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine is CNCC1(C)C[C@](C)(F)CC2CC2[C@@H]1F.
What is the InChIKey of 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine?
The InChIKey is BWHIANAGUVWICH-TXIHYXHLSA-N. The full InChI is InChI=1S/C12H21F2N/c1-11(7-15-3)6-12(2,14)5-8-4-9(8)10(11)13/h8-10,15H,4-7H2,1-3H3/t8?,9?,10-,11?,12+/m0/s1.
What are the key properties of 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine?
1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine has a molecular weight of 217.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-2,5-difluoro-3,5-dimethyl-3-bicyclo[5.1.0]octanyl]-N-methylmethanamine is sourced from PubChem (CID 155312214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).