N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine

C17H25NO2 — CID 62943336

IUPACN-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine
SMILESCCNC1CC(C)CCc2cc3c(cc21)OCCCO3
InChIInChI=1S/C17H25NO2/c1-3-18-15-9-12(2)5-6-13-10-16-17(11-14(13)15)20-8-4-7-19-16/h10-12,15,18H,3-9H2,1-2H3
InChIKeyYFYAYIMOSTYFFK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.47
Rot. Bonds2

About N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine

N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine (PubChem CID 62943336) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine.

Molecular Properties

Compound NameN-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine
PubChem CID62943336
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine
SMILESCCNC1CC(C)CCc2cc3c(cc21)OCCCO3
InChIInChI=1S/C17H25NO2/c1-3-18-15-9-12(2)5-6-13-10-16-17(11-14(13)15)20-8-4-7-19-16/h10-12,15,18H,3-9H2,1-2H3
InChIKeyYFYAYIMOSTYFFK-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine with MolForge

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Related Compounds

10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 63513352
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
N-ethyl-6-oxo-2,3,7,8,9,10-hexahydrothiepino[2,3-g][1,4]benzodioxin-10-amine
CID 115478780
N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115483167
N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512835
8-methyl-N-propyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 63821748
7-bromo-N-ethyl-8-methyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417486
N-ethyl-7-methyl-2,3,7,8-tetrahydrothieno[2,3-g][1,4]benzodioxin-8-amine
CID 113318325
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
N-ethyl-7,8-dimethyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-amine
CID 79725403
10-bromo-N-ethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 62730255

Frequently Asked Questions

What is the IUPAC name of N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine?
The IUPAC name of N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine (CID 62943336) is N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine.
What is the SMILES notation for N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine?
The canonical SMILES for N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine is CCNC1CC(C)CCc2cc3c(cc21)OCCCO3.
What is the InChIKey of N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine?
The InChIKey is YFYAYIMOSTYFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18-15-9-12(2)5-6-13-10-16-17(11-14(13)15)20-8-4-7-19-16/h10-12,15,18H,3-9H2,1-2H3.
What are the key properties of N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine?
N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine has a molecular weight of 275.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine is sourced from PubChem (CID 62943336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).