6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine

C25H28N2O — CID 20620111

IUPAC6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine
SMILESCCC1Cc2ccc(OCCc3cccc(NC)n3)cc2Cc2ccccc21
InChIInChI=1S/C25H28N2O/c1-3-18-15-19-11-12-23(17-21(19)16-20-7-4-5-9-24(18)20)28-14-13-22-8-6-10-25(26-2)27-22/h4-12,17-18H,3,13-16H2,1-2H3,(H,26,27)
InChIKeyWSPIEVQUQFSSAO-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.39
Rot. Bonds6

About 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine

6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine (PubChem CID 20620111) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine
PubChem CID20620111
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine
SMILESCCC1Cc2ccc(OCCc3cccc(NC)n3)cc2Cc2ccccc21
InChIInChI=1S/C25H28N2O/c1-3-18-15-19-11-12-23(17-21(19)16-20-7-4-5-9-24(18)20)28-14-13-22-8-6-10-25(26-2)27-22/h4-12,17-18H,3,13-16H2,1-2H3,(H,26,27)
InChIKeyWSPIEVQUQFSSAO-UHFFFAOYSA-N
XLogP5.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine with MolForge

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Related Compounds

N-methyl-6-[2-[4-(2-methylbut-1-enyl)phenoxy]ethyl]pyridin-2-amine
CID 141013947
ethyl 2-[14-[3-[(4-methyl-2-pyridinyl)amino]propoxy]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]acetate
CID 54315824
2-[14-(3-aminopropoxy)-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]acetic acid
CID 18518291
2-[(9S)-14-[3-[[4-(dimethylamino)-2-pyridinyl]amino]propoxy]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]acetic acid
CID 20592615
ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate
CID 11326106
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
CID 54281184
ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
CID 141013948
ethyl 2-[(1S)-5-[2-(6-chloro-2-pyridinyl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 59300493
(4R)-8-[2-(6-ethyl-2-pyridinyl)ethoxy]-4-methyl-2-(2-propoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one
CID 161436267
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid
CID 90903976
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
CID 142158782

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine (CID 20620111) is 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine is CCC1Cc2ccc(OCCc3cccc(NC)n3)cc2Cc2ccccc21.
What is the InChIKey of 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine?
The InChIKey is WSPIEVQUQFSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-3-18-15-19-11-12-23(17-21(19)16-20-7-4-5-9-24(18)20)28-14-13-22-8-6-10-25(26-2)27-22/h4-12,17-18H,3,13-16H2,1-2H3,(H,26,27).
What are the key properties of 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine?
6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine has a molecular weight of 372.51 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 20620111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).