1-(9,9-dimethyldec-7-ynyl)imidazole

C15H24N2 — CID 18921940

IUPAC1-(9,9-dimethyldec-7-ynyl)imidazole
SMILESCC(C)(C)C#CCCCCCCn1ccnc1
InChIInChI=1S/C15H24N2/c1-15(2,3)10-8-6-4-5-7-9-12-17-13-11-16-14-17/h11,13-14H,4-7,9,12H2,1-3H3
InChIKeyOAOKRRWBOHMPBD-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.88
Rot. Bonds6

About 1-(9,9-dimethyldec-7-ynyl)imidazole

1-(9,9-dimethyldec-7-ynyl)imidazole (PubChem CID 18921940) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(9,9-dimethyldec-7-ynyl)imidazole.

Molecular Properties

Compound Name1-(9,9-dimethyldec-7-ynyl)imidazole
PubChem CID18921940
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(9,9-dimethyldec-7-ynyl)imidazole
SMILESCC(C)(C)C#CCCCCCCn1ccnc1
InChIInChI=1S/C15H24N2/c1-15(2,3)10-8-6-4-5-7-9-12-17-13-11-16-14-17/h11,13-14H,4-7,9,12H2,1-3H3
InChIKeyOAOKRRWBOHMPBD-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-(11,11-dimethyldodecyl)imidazole
CID 118887404
1-nonylimidazole;hydrobromide
CID 175434544
7-imidazol-1-ylheptane-1-thiol
CID 156850258
1-(7-methyloctyl)imidazole
CID 59001100
1-(13,13,13-trimethoxytridecyl)imidazole
CID 151189637
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
4-imidazol-1-ylbutanenitrile
CID 10855507
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
carbonic acid;1-dodecylimidazole
CID 175596781
1-(13-ethoxytridecyl)imidazole
CID 145255635
acetic acid;1-decylimidazole
CID 175546754

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethyldec-7-ynyl)imidazole?
The IUPAC name of 1-(9,9-dimethyldec-7-ynyl)imidazole (CID 18921940) is 1-(9,9-dimethyldec-7-ynyl)imidazole.
What is the SMILES notation for 1-(9,9-dimethyldec-7-ynyl)imidazole?
The canonical SMILES for 1-(9,9-dimethyldec-7-ynyl)imidazole is CC(C)(C)C#CCCCCCCn1ccnc1.
What is the InChIKey of 1-(9,9-dimethyldec-7-ynyl)imidazole?
The InChIKey is OAOKRRWBOHMPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)10-8-6-4-5-7-9-12-17-13-11-16-14-17/h11,13-14H,4-7,9,12H2,1-3H3.
What are the key properties of 1-(9,9-dimethyldec-7-ynyl)imidazole?
1-(9,9-dimethyldec-7-ynyl)imidazole has a molecular weight of 232.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethyldec-7-ynyl)imidazole is sourced from PubChem (CID 18921940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).