2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane

C26H28N4O4 — CID 175739385

IUPAC2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
SMILESc1coc(CN2C3CC4N(Cc5ccco5)C2CC(N3Cc2ccco2)N4Cc2ccco2)c1
InChIInChI=1S/C26H28N4O4/c1-5-19(31-9-1)15-27-23-13-26-29(17-21-7-3-11-33-21)24(27)14-25(28(23)16-20-6-2-10-32-20)30(26)18-22-8-4-12-34-22/h1-12,23-26H,13-18H2
InChIKeyGDQOCWXXQWMYMP-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.49
Rot. Bonds8

About 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane

2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane (PubChem CID 175739385) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
PubChem CID175739385
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
SMILESc1coc(CN2C3CC4N(Cc5ccco5)C2CC(N3Cc2ccco2)N4Cc2ccco2)c1
InChIInChI=1S/C26H28N4O4/c1-5-19(31-9-1)15-27-23-13-26-29(17-21-7-3-11-33-21)24(27)14-25(28(23)16-20-6-2-10-32-20)30(26)18-22-8-4-12-34-22/h1-12,23-26H,13-18H2
InChIKeyGDQOCWXXQWMYMP-UHFFFAOYSA-N
XLogP4.49
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

8-(furan-2-ylmethyl)-3-methoxy-8-azabicyclo[3.2.1]octane
CID 122269092
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
(3aR,7aR)-1,3-bis(furan-2-ylmethyl)-2-phenyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
CID 102466170
N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712896
(1S,2S,6R,7S)-4-(furan-2-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575713
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
(3aR,4S,7R,7aR)-2-(furan-2-ylmethyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 27451087
2-(furan-2-ylmethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026535
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane (CID 175739385) is 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane is c1coc(CN2C3CC4N(Cc5ccco5)C2CC(N3Cc2ccco2)N4Cc2ccco2)c1.
What is the InChIKey of 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane?
The InChIKey is GDQOCWXXQWMYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-5-19(31-9-1)15-27-23-13-26-29(17-21-7-3-11-33-21)24(27)14-25(28(23)16-20-6-2-10-32-20)30(26)18-22-8-4-12-34-22/h1-12,23-26H,13-18H2.
What are the key properties of 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane?
2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane has a molecular weight of 460.53 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 175739385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).