6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one

C17H28N2O3 — CID 10859812

IUPAC6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one
SMILESCOC(OC)C(C)(C)CCCC(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C17H28N2O3/c1-17(2,16(21-3)22-4)10-7-8-14(20)13-12-19-11-6-5-9-15(19)18-13/h12,16H,5-11H2,1-4H3
InChIKeyKGUAFJDDRLICQX-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.22
Rot. Bonds8

About 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one

6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one (PubChem CID 10859812) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one.

Molecular Properties

Compound Name6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one
PubChem CID10859812
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one
SMILESCOC(OC)C(C)(C)CCCC(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C17H28N2O3/c1-17(2,16(21-3)22-4)10-7-8-14(20)13-12-19-11-6-5-9-15(19)18-13/h12,16H,5-11H2,1-4H3
InChIKeyKGUAFJDDRLICQX-UHFFFAOYSA-N
XLogP3.22
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one?
The IUPAC name of 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one (CID 10859812) is 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one.
What is the SMILES notation for 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one?
The canonical SMILES for 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one is COC(OC)C(C)(C)CCCC(=O)c1cn2c(n1)CCCC2.
What is the InChIKey of 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one?
The InChIKey is KGUAFJDDRLICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,16(21-3)22-4)10-7-8-14(20)13-12-19-11-6-5-9-15(19)18-13/h12,16H,5-11H2,1-4H3.
What are the key properties of 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one?
6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one has a molecular weight of 308.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one is sourced from PubChem (CID 10859812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).