1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

C16H18N2 — CID 66271868

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cnccc1C)C1Cc2ccccc21
InChIInChI=1S/C16H18N2/c1-11-7-8-18-10-15(11)16(17-2)14-9-12-5-3-4-6-13(12)14/h3-8,10,14,16-17H,9H2,1-2H3
InChIKeyZRNQILYFLCRQAA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.99
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (PubChem CID 66271868) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
PubChem CID66271868
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cnccc1C)C1Cc2ccccc21
InChIInChI=1S/C16H18N2/c1-11-7-8-18-10-15(11)16(17-2)14-9-12-5-3-4-6-13(12)14/h3-8,10,14,16-17H,9H2,1-2H3
InChIKeyZRNQILYFLCRQAA-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
CID 66272474
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 64984059
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433551
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877772
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 64984157
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 64984445
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 66396108
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320552
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 66396114
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106601546
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114604437

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (CID 66271868) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is CNC(c1cnccc1C)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is ZRNQILYFLCRQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-11-7-8-18-10-15(11)16(17-2)14-9-12-5-3-4-6-13(12)14/h3-8,10,14,16-17H,9H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 238.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 66271868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).