5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane

C14H24N2 — CID 91199675

IUPAC5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane
SMILESCC.c1ncc(C2CCCC3CCCC32)[nH]1
InChIInChI=1S/C12H18N2.C2H6/c1-3-9-4-2-6-11(10(9)5-1)12-7-13-8-14-12;1-2/h7-11H,1-6H2,(H,13,14);1-2H3
InChIKeySUHSFAJYZYMADH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.12
Rot. Bonds1

About 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane

5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane (PubChem CID 91199675) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane.

Molecular Properties

Compound Name5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane
PubChem CID91199675
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane
SMILESCC.c1ncc(C2CCCC3CCCC32)[nH]1
InChIInChI=1S/C12H18N2.C2H6/c1-3-9-4-2-6-11(10(9)5-1)12-7-13-8-14-12;1-2/h7-11H,1-6H2,(H,13,14);1-2H3
InChIKeySUHSFAJYZYMADH-UHFFFAOYSA-N
XLogP4.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane?
The IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane (CID 91199675) is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane.
What is the SMILES notation for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane?
The canonical SMILES for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane is CC.c1ncc(C2CCCC3CCCC32)[nH]1.
What is the InChIKey of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane?
The InChIKey is SUHSFAJYZYMADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-3-9-4-2-6-11(10(9)5-1)12-7-13-8-14-12;1-2/h7-11H,1-6H2,(H,13,14);1-2H3.
What are the key properties of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane?
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane has a molecular weight of 220.36 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1H-imidazole;ethane is sourced from PubChem (CID 91199675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).