1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C13H19NS — CID 102841672

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)C1C2CCCC21
InChIInChI=1S/C13H19NS/c1-8-9(6-7-15-8)13(14-2)12-10-4-3-5-11(10)12/h6-7,10-14H,3-5H2,1-2H3
InChIKeyJSYFRMIOARTSNP-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.36
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102841672) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102841672
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)C1C2CCCC21
InChIInChI=1S/C13H19NS/c1-8-9(6-7-15-8)13(14-2)12-10-4-3-5-11(10)12/h6-7,10-14H,3-5H2,1-2H3
InChIKeyJSYFRMIOARTSNP-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine with MolForge

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841400
1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102832026
N-methyl-1-(2-methylcyclopentyl)-1-(2-methylthiophen-3-yl)methanamine
CID 107191644
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102840428
1-(6-bicyclo[3.1.0]hexanyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052166
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850777
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016349
N-methyl-1-(1-methylcyclopropyl)-1-(2-methylthiophen-3-yl)methanamine
CID 102833419
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858379
1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
CID 130594687
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102841672) is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccsc1C)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is JSYFRMIOARTSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-8-9(6-7-15-8)13(14-2)12-10-4-3-5-11(10)12/h6-7,10-14H,3-5H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 221.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102841672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).