1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine

C17H24N2 — CID 146384058

IUPAC1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine
SMILESCC/C(=C\C=C(C)C)C1=CN2C=CC=C(C)C2N1C
InChIInChI=1S/C17H24N2/c1-6-15(10-9-13(2)3)16-12-19-11-7-8-14(4)17(19)18(16)5/h7-12,17H,6H2,1-5H3/b15-10+
InChIKeyQNIVVCLYAXNGLI-XNTDXEJSSA-N
MW256.39 g/mol
LogP4.18
Rot. Bonds3

About 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine

1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine (PubChem CID 146384058) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine
PubChem CID146384058
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine
SMILESCC/C(=C\C=C(C)C)C1=CN2C=CC=C(C)C2N1C
InChIInChI=1S/C17H24N2/c1-6-15(10-9-13(2)3)16-12-19-11-7-8-14(4)17(19)18(16)5/h7-12,17H,6H2,1-5H3/b15-10+
InChIKeyQNIVVCLYAXNGLI-XNTDXEJSSA-N
XLogP4.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Dimethylamino-piperidinofulvene
CID 138455233
CID 177444129
CID 177444129
N-[2-[6-[(3E,5E)-6-fluoroocta-1,3,5-trien-3-yl]-1-methyl-8aH-imidazo[1,2-a]pyridin-2-yl]ethyl]-N-methylbutan-1-amine
CID 144189000
1-methyl-7-propyl-8aH-imidazo[1,2-a]pyridine
CID 54011869
1-methyl-6-propyl-8aH-imidazo[1,2-a]pyridine
CID 54478970
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CID 58517885
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CID 71248614
1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole
CID 88892156
(1Z,3Z)-5-(3-methyl-1,2,6,7-tetrahydrobenzimidazol-2-yl)hexa-1,3,5-trien-1-amine
CID 89053476
2-Cyclopropyl-3,8-dimethyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 89404589
2,3-Dimethyl-3,5,8,9-tetrahydroimidazo[5,1-a]isoindole
CID 89671491
(9E)-10-bromo-1-[(3E,5Z)-4,6-dimethylocta-3,5,7-trien-3-yl]-6,7,8,10a-tetrahydro-5H-imidazo[1,2-a]azocine
CID 89829884

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine?
The IUPAC name of 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine (CID 146384058) is 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine.
What is the SMILES notation for 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine?
The canonical SMILES for 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine is CC/C(=C\C=C(C)C)C1=CN2C=CC=C(C)C2N1C.
What is the InChIKey of 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine?
The InChIKey is QNIVVCLYAXNGLI-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-15(10-9-13(2)3)16-12-19-11-7-8-14(4)17(19)18(16)5/h7-12,17H,6H2,1-5H3/b15-10+.
What are the key properties of 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine?
1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine has a molecular weight of 256.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine is sourced from PubChem (CID 146384058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).