N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine

C17H20N2 — CID 64984458

IUPACN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1Cc2ccccc21
InChIInChI=1S/C17H20N2/c1-3-18-17(14-9-8-12(2)19-11-14)16-10-13-6-4-5-7-15(13)16/h4-9,11,16-18H,3,10H2,1-2H3
InChIKeyBCNWHRTVJPHKGV-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.38
Rot. Bonds4

About N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 64984458) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID64984458
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1Cc2ccccc21
InChIInChI=1S/C17H20N2/c1-3-18-17(14-9-8-12(2)19-11-14)16-10-13-6-4-5-7-15(13)16/h4-9,11,16-18H,3,10H2,1-2H3
InChIKeyBCNWHRTVJPHKGV-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79703599
N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 107004419
N-[(6-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115854998
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 66394948
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(thiophen-2-yl)methyl]ethanamine
CID 64984504
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302514
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 105109885
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 64984212
N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 65415133
[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305603
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 64984223
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207

Frequently Asked Questions

What is the IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 64984458) is N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)C1Cc2ccccc21.
What is the InChIKey of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is BCNWHRTVJPHKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-18-17(14-9-8-12(2)19-11-14)16-10-13-6-4-5-7-15(13)16/h4-9,11,16-18H,3,10H2,1-2H3.
What are the key properties of N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 64984458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).