2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole

C15H22N2 — CID 134858875

IUPAC2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole
SMILESCC(C)=CCCC(C)CC#Cc1nccn1C
InChIInChI=1S/C15H22N2/c1-13(2)7-5-8-14(3)9-6-10-15-16-11-12-17(15)4/h7,11-12,14H,5,8-9H2,1-4H3
InChIKeyWFKOFDBLITXMPE-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.54
Rot. Bonds4

About 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole

2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole (PubChem CID 134858875) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole
PubChem CID134858875
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole
SMILESCC(C)=CCCC(C)CC#Cc1nccn1C
InChIInChI=1S/C15H22N2/c1-13(2)7-5-8-14(3)9-6-10-15-16-11-12-17(15)4/h7,11-12,14H,5,8-9H2,1-4H3
InChIKeyWFKOFDBLITXMPE-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Subsituted 1H-imidazole, 14
CID 25116047
1-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]imidazol-1-ium bromide
CID 44429842
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
2-[(Z)-(2-ethylcyclopentylidene)methyl]-1-methylimidazole
CID 10987073
N-geranylimidazol
CID 13309275
1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
CID 164642173
3,7-Dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol
CID 134837468
1-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]imidazol-1-ium
CID 44429843
2-[(3E,5Z)-3-fluoro-7-methylnona-1,3,5-trien-2-yl]-1-methylimidazole
CID 142149368
2-(2,6-Dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
CID 151519521

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole?
The IUPAC name of 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole (CID 134858875) is 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole.
What is the SMILES notation for 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole?
The canonical SMILES for 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole is CC(C)=CCCC(C)CC#Cc1nccn1C.
What is the InChIKey of 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole?
The InChIKey is WFKOFDBLITXMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13(2)7-5-8-14(3)9-6-10-15-16-11-12-17(15)4/h7,11-12,14H,5,8-9H2,1-4H3.
What are the key properties of 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole?
2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole has a molecular weight of 230.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnon-7-en-1-ynyl)-1-methylimidazole is sourced from PubChem (CID 134858875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).