1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine

C15H21NO2 — CID 115010139

IUPAC1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine
SMILESCNC(C)c1c2c(cc3c1OCCC3)OCCC2
InChIInChI=1S/C15H21NO2/c1-10(16-2)14-12-6-4-7-17-13(12)9-11-5-3-8-18-15(11)14/h9-10,16H,3-8H2,1-2H3
InChIKeyZYUJETOUOISQPE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.62
Rot. Bonds2

About 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine

1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine (PubChem CID 115010139) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine
PubChem CID115010139
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine
SMILESCNC(C)c1c2c(cc3c1OCCC3)OCCC2
InChIInChI=1S/C15H21NO2/c1-10(16-2)14-12-6-4-7-17-13(12)9-11-5-3-8-18-15(11)14/h9-10,16H,3-8H2,1-2H3
InChIKeyZYUJETOUOISQPE-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine
CID 115010138
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol
CID 117413072
2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-thiol
CID 116986422
2-(methylamino)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetic acid
CID 116986338
3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-methylpropanoic acid
CID 117442454
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925
N-methyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine
CID 116986337
methyl 2-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)acetate
CID 116986424
[3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117463577
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
CID 117464038
ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate
CID 116986435
8-fluoro-6-propan-2-yl-3,4-dihydro-2H-chromene
CID 89290968

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine (CID 115010139) is 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine is CNC(C)c1c2c(cc3c1OCCC3)OCCC2.
What is the InChIKey of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine?
The InChIKey is ZYUJETOUOISQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(16-2)14-12-6-4-7-17-13(12)9-11-5-3-8-18-15(11)14/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine?
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine is sourced from PubChem (CID 115010139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).