1-methyl-2-nonan-3-ylimidazole

C13H24N2 — CID 138628571

IUPAC1-methyl-2-nonan-3-ylimidazole
SMILESCCCCCCC(CC)c1nccn1C
InChIInChI=1S/C13H24N2/c1-4-6-7-8-9-12(5-2)13-14-10-11-15(13)3/h10-12H,4-9H2,1-3H3
InChIKeyRHXNHPJZXVJPRL-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.88
Rot. Bonds7

About 1-methyl-2-nonan-3-ylimidazole

1-methyl-2-nonan-3-ylimidazole (PubChem CID 138628571) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-methyl-2-nonan-3-ylimidazole.

Molecular Properties

Compound Name1-methyl-2-nonan-3-ylimidazole
PubChem CID138628571
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-methyl-2-nonan-3-ylimidazole
SMILESCCCCCCC(CC)c1nccn1C
InChIInChI=1S/C13H24N2/c1-4-6-7-8-9-12(5-2)13-14-10-11-15(13)3/h10-12H,4-9H2,1-3H3
InChIKeyRHXNHPJZXVJPRL-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-decan-5-yl-1-methylimidazole
CID 135217087
1-methyl-2-pentan-3-ylimidazole
CID 89261277
1-propan-2-yl-2-tridecan-3-ylimidazole
CID 69408158
2-tetradecan-3-ylimidazole-1-carbonitrile
CID 174739224
1-pentadecan-2-yl-2-undecan-3-ylimidazole
CID 69406601
1-(1-methylimidazol-2-yl)heptylhydrazine
CID 105258177
2-hexan-3-yl-1-tridecan-2-ylimidazole
CID 69407860
1-heptadecan-2-yl-2-hexan-3-ylimidazole
CID 69408677
2-heptacosan-9-yl-1-propan-2-ylimidazole
CID 69405884
2-(1-methylimidazol-2-yl)pentan-1-amine
CID 116834928
2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nonan-3-ylimidazole?
The IUPAC name of 1-methyl-2-nonan-3-ylimidazole (CID 138628571) is 1-methyl-2-nonan-3-ylimidazole.
What is the SMILES notation for 1-methyl-2-nonan-3-ylimidazole?
The canonical SMILES for 1-methyl-2-nonan-3-ylimidazole is CCCCCCC(CC)c1nccn1C.
What is the InChIKey of 1-methyl-2-nonan-3-ylimidazole?
The InChIKey is RHXNHPJZXVJPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-7-8-9-12(5-2)13-14-10-11-15(13)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methyl-2-nonan-3-ylimidazole?
1-methyl-2-nonan-3-ylimidazole has a molecular weight of 208.35 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nonan-3-ylimidazole is sourced from PubChem (CID 138628571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).