8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine

C22H28N2O — CID 156844620

IUPAC8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(C)c1ccc2c(n1)OCc1cc(C3CCCCCCC3)ccc1-2
InChIInChI=1S/C22H28N2O/c1-24(2)21-13-12-20-19-11-10-17(14-18(19)15-25-22(20)23-21)16-8-6-4-3-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3
InChIKeyZJVANRRBGWTHCU-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.53
Rot. Bonds2

About 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine

8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844620) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844620
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCN(C)c1ccc2c(n1)OCc1cc(C3CCCCCCC3)ccc1-2
InChIInChI=1S/C22H28N2O/c1-24(2)21-13-12-20-19-11-10-17(14-18(19)15-25-22(20)23-21)16-8-6-4-3-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3
InChIKeyZJVANRRBGWTHCU-UHFFFAOYSA-N
XLogP5.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-cyclopentyl-N,N-dimethylaniline
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8-bromo-3-methylsulfanyl-6H-isochromeno[3,4-d]pyrimidine
CID 167503185
8-(6-methoxypyridazin-4-yl)-N-methyl-N-[(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-6H-isochromeno[3,4-b]pyridin-3-amine
CID 172537126
2-cyclobutyl-6,12-dihydroindeno[1,2-b]fluorene
CID 59801079
6-cyclohexyl-1,2,3,4-tetrahydroanthracene
CID 141269352
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CID 170179749

Frequently Asked Questions

What is the IUPAC name of 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844620) is 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine is CN(C)c1ccc2c(n1)OCc1cc(C3CCCCCCC3)ccc1-2.
What is the InChIKey of 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is ZJVANRRBGWTHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-24(2)21-13-12-20-19-11-10-17(14-18(19)15-25-22(20)23-21)16-8-6-4-3-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3.
What are the key properties of 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine?
8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 336.48 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclooctyl-N,N-dimethyl-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).