N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine

C11H15N — CID 105431723

IUPACN-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
SMILESCNCC1Cc2c(C)cccc21
InChIInChI=1S/C11H15N/c1-8-4-3-5-10-9(7-12-2)6-11(8)10/h3-5,9,12H,6-7H2,1-2H3
InChIKeyQFORFAJOSPJDKH-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.85
Rot. Bonds2

About N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine

N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine (PubChem CID 105431723) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
PubChem CID105431723
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
SMILESCNCC1Cc2c(C)cccc21
InChIInChI=1S/C11H15N/c1-8-4-3-5-10-9(7-12-2)6-11(8)10/h3-5,9,12H,6-7H2,1-2H3
InChIKeyQFORFAJOSPJDKH-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine (CID 105431723) is N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine is CNCC1Cc2c(C)cccc21.
What is the InChIKey of N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine?
The InChIKey is QFORFAJOSPJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-4-3-5-10-9(7-12-2)6-11(8)10/h3-5,9,12H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine?
N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine has a molecular weight of 161.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine is sourced from PubChem (CID 105431723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).