5-nonan-3-yl-1H-imidazole

C12H22N2 — CID 155076171

IUPAC5-nonan-3-yl-1H-imidazole
SMILESCCCCCCC(CC)c1cnc[nH]1
InChIInChI=1S/C12H22N2/c1-3-5-6-7-8-11(4-2)12-9-13-10-14-12/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyVNAYAVMCFJECGU-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.87
Rot. Bonds7

About 5-nonan-3-yl-1H-imidazole

5-nonan-3-yl-1H-imidazole (PubChem CID 155076171) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-nonan-3-yl-1H-imidazole.

Molecular Properties

Compound Name5-nonan-3-yl-1H-imidazole
PubChem CID155076171
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-nonan-3-yl-1H-imidazole
SMILESCCCCCCC(CC)c1cnc[nH]1
InChIInChI=1S/C12H22N2/c1-3-5-6-7-8-11(4-2)12-9-13-10-14-12/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyVNAYAVMCFJECGU-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-octan-3-yl-1H-imidazole
CID 57097336
3-(1H-imidazol-5-yl)nonyl carbamate
CID 57230034
2-nonan-3-yl-1H-pyrrole
CID 139299557
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
CID 65232388
6-nonan-3-yl-1H-pyrimidine-2,4-dione
CID 134171693
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-docosan-3-yl-3-nonan-2-yl-1H-imidazol-3-ium
CID 90894812
3-octadecan-2-yl-2-octadecan-3-yl-1H-imidazol-3-ium
CID 69406769
2-dodecan-3-yl-3-nonadecan-2-yl-1H-imidazol-3-ium
CID 90691929
1-methyl-2-nonan-3-ylpyrrole
CID 91052643
2-heptan-3-yl-1H-pyrrole
CID 151647430

Frequently Asked Questions

What is the IUPAC name of 5-nonan-3-yl-1H-imidazole?
The IUPAC name of 5-nonan-3-yl-1H-imidazole (CID 155076171) is 5-nonan-3-yl-1H-imidazole.
What is the SMILES notation for 5-nonan-3-yl-1H-imidazole?
The canonical SMILES for 5-nonan-3-yl-1H-imidazole is CCCCCCC(CC)c1cnc[nH]1.
What is the InChIKey of 5-nonan-3-yl-1H-imidazole?
The InChIKey is VNAYAVMCFJECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-6-7-8-11(4-2)12-9-13-10-14-12/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 5-nonan-3-yl-1H-imidazole?
5-nonan-3-yl-1H-imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonan-3-yl-1H-imidazole is sourced from PubChem (CID 155076171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).