1-methyl-2-pentan-3-ylimidazole

C9H16N2 — CID 89261277

IUPAC1-methyl-2-pentan-3-ylimidazole
SMILESCCC(CC)c1nccn1C
InChIInChI=1S/C9H16N2/c1-4-8(5-2)9-10-6-7-11(9)3/h6-8H,4-5H2,1-3H3
InChIKeyXCCNOZXFAZQWEU-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds3

About 1-methyl-2-pentan-3-ylimidazole

1-methyl-2-pentan-3-ylimidazole (PubChem CID 89261277) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-2-pentan-3-ylimidazole.

Molecular Properties

Compound Name1-methyl-2-pentan-3-ylimidazole
PubChem CID89261277
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-methyl-2-pentan-3-ylimidazole
SMILESCCC(CC)c1nccn1C
InChIInChI=1S/C9H16N2/c1-4-8(5-2)9-10-6-7-11(9)3/h6-8H,4-5H2,1-3H3
InChIKeyXCCNOZXFAZQWEU-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-nonan-3-ylimidazole
CID 138628571
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
2-(1-methylimidazol-2-yl)pentan-1-amine
CID 116834928
2-decan-5-yl-1-methylimidazole
CID 135217087
2-(1-methoxypropyl)-1-methylimidazole
CID 118061871
trimethoxy-[1-(1-methylimidazol-2-yl)propyl]silane
CID 90186472
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
2-(1-bromobutyl)-1-methylimidazole
CID 175381237
2-methyl-N-[1-(1-methylimidazol-2-yl)propyl]propan-1-amine
CID 115900547
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pentan-3-ylimidazole?
The IUPAC name of 1-methyl-2-pentan-3-ylimidazole (CID 89261277) is 1-methyl-2-pentan-3-ylimidazole.
What is the SMILES notation for 1-methyl-2-pentan-3-ylimidazole?
The canonical SMILES for 1-methyl-2-pentan-3-ylimidazole is CCC(CC)c1nccn1C.
What is the InChIKey of 1-methyl-2-pentan-3-ylimidazole?
The InChIKey is XCCNOZXFAZQWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(5-2)9-10-6-7-11(9)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methyl-2-pentan-3-ylimidazole?
1-methyl-2-pentan-3-ylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pentan-3-ylimidazole is sourced from PubChem (CID 89261277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).