ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine

C10H20FN — CID 145337614

IUPACethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine
SMILESCC.NCC1CC2C[C@H](F)CC12
InChIInChI=1S/C8H14FN.C2H6/c9-7-2-5-1-6(4-10)8(5)3-7;1-2/h5-8H,1-4,10H2;1-2H3/t5?,6?,7-,8?;/m0./s1
InChIKeyFQXYLMIFYAWCIL-FHCFQYKESA-N
MW173.28 g/mol
LogP2.36
Rot. Bonds1

About ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine

ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine (PubChem CID 145337614) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine.

Molecular Properties

Compound Nameethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine
PubChem CID145337614
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Nameethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine
SMILESCC.NCC1CC2C[C@H](F)CC12
InChIInChI=1S/C8H14FN.C2H6/c9-7-2-5-1-6(4-10)8(5)3-7;1-2/h5-8H,1-4,10H2;1-2H3/t5?,6?,7-,8?;/m0./s1
InChIKeyFQXYLMIFYAWCIL-FHCFQYKESA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101007268
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
[(1R,2S,4R,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]methanamine
CID 15190122
2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 101328281
[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 161192187
[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 59926141
[(1S,2S)-2,4-difluorocyclohexyl]methanamine
CID 122578445
[3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-3-enyl]methanamine
CID 145337617
[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
CID 146026791
[(1R,6S)-6-methyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 166698181
2-tricyclo[5.3.1.04,9]undecanylmethanamine
CID 146321194
3-azabicyclo[4.1.0]heptan-5-ylmethanamine;dihydrochloride
CID 155896224

Frequently Asked Questions

What is the IUPAC name of ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine?
The IUPAC name of ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine (CID 145337614) is ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine.
What is the SMILES notation for ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine?
The canonical SMILES for ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine is CC.NCC1CC2C[C@H](F)CC12.
What is the InChIKey of ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine?
The InChIKey is FQXYLMIFYAWCIL-FHCFQYKESA-N. The full InChI is InChI=1S/C8H14FN.C2H6/c9-7-2-5-1-6(4-10)8(5)3-7;1-2/h5-8H,1-4,10H2;1-2H3/t5?,6?,7-,8?;/m0./s1.
What are the key properties of ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine?
ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine has a molecular weight of 173.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine is sourced from PubChem (CID 145337614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).