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

C18H25NO2 — CID 117464038

IUPAC1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
SMILESNC1(c2c3c(cc4c2OCCC4)OCCC3)CCCCC1
InChIInChI=1S/C18H25NO2/c19-18(8-2-1-3-9-18)16-14-7-5-10-20-15(14)12-13-6-4-11-21-17(13)16/h12H,1-11,19H2
InChIKeyPVEWXVGRXBJWGL-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.45
Rot. Bonds1

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

1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine (PubChem CID 117464038) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
PubChem CID117464038
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
SMILESNC1(c2c3c(cc4c2OCCC4)OCCC3)CCCCC1
InChIInChI=1S/C18H25NO2/c19-18(8-2-1-3-9-18)16-14-7-5-10-20-15(14)12-13-6-4-11-21-17(13)16/h12H,1-11,19H2
InChIKeyPVEWXVGRXBJWGL-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.45
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
2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-thiol
CID 116986422
10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
CID 117467561
1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
CID 117408348
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclohexan-1-amine
CID 117474079
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopentan-1-amine
CID 117448866
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946
8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117440448
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456215
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine
CID 115010139
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine (CID 117464038) is 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine is NC1(c2c3c(cc4c2OCCC4)OCCC3)CCCCC1.
What is the InChIKey of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine?
The InChIKey is PVEWXVGRXBJWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c19-18(8-2-1-3-9-18)16-14-7-5-10-20-15(14)12-13-6-4-11-21-17(13)16/h12H,1-11,19H2.
What are the key properties of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine?
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 3.45, 1 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)cyclohexan-1-amine is sourced from PubChem (CID 117464038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).