ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone

C12H25N3O — CID 143036445

IUPACethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC.CNC1CCC2NCC(C(C)=O)N2C1
InChIInChI=1S/C10H19N3O.C2H6/c1-7(14)9-5-12-10-4-3-8(11-2)6-13(9)10;1-2/h8-12H,3-6H2,1-2H3;1-2H3
InChIKeyMXGVNDDWKJLGGF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds2

About ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone

ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 143036445) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone
PubChem CID143036445
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Nameethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC.CNC1CCC2NCC(C(C)=O)N2C1
InChIInChI=1S/C10H19N3O.C2H6/c1-7(14)9-5-12-10-4-3-8(11-2)6-13(9)10;1-2/h8-12H,3-6H2,1-2H3;1-2H3
InChIKeyMXGVNDDWKJLGGF-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The IUPAC name of ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone (CID 143036445) is ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone.
What is the SMILES notation for ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The canonical SMILES for ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone is CC.CNC1CCC2NCC(C(C)=O)N2C1.
What is the InChIKey of ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The InChIKey is MXGVNDDWKJLGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.C2H6/c1-7(14)9-5-12-10-4-3-8(11-2)6-13(9)10;1-2/h8-12H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 227.35 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 143036445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).