5-(2-methylpropyl)-1-pentylimidazol-2-amine

C12H23N3 — CID 56663228

IUPAC5-(2-methylpropyl)-1-pentylimidazol-2-amine
SMILESCCCCCn1c(CC(C)C)cnc1N
InChIInChI=1S/C12H23N3/c1-4-5-6-7-15-11(8-10(2)3)9-14-12(15)13/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyODWIYAGSKURCHL-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.85
Rot. Bonds6

About 5-(2-methylpropyl)-1-pentylimidazol-2-amine

5-(2-methylpropyl)-1-pentylimidazol-2-amine (PubChem CID 56663228) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-pentylimidazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-pentylimidazol-2-amine
PubChem CID56663228
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-(2-methylpropyl)-1-pentylimidazol-2-amine
SMILESCCCCCn1c(CC(C)C)cnc1N
InChIInChI=1S/C12H23N3/c1-4-5-6-7-15-11(8-10(2)3)9-14-12(15)13/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyODWIYAGSKURCHL-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Immepip
CID 3035842
4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole
CID 10219888
Methimepip
CID 11313837
4-(1H-imidazol-4-yl)piperidine
CID 10678418
4-(7-Methyl-oct-3-ynyl)-1H-imidazole
CID 10012754
Vuf 5207
CID 11672774
4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine
CID 44406484
N-ethylhistamine
CID 44292270
(S)-4-(Pyrrolidin-3-ylmethyl)-1H-imidazole
CID 44367568
4-(cyclohexylmethyl)-1H-imidazole
CID 9793921
4-((3R,4R)-4-methylpyrrolidin-3-yl)-1H-imidazole
CID 9815232
4-[2-(1H-Imidazol-4-yl)ethyl]piperidine
CID 10176370

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-pentylimidazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-1-pentylimidazol-2-amine (CID 56663228) is 5-(2-methylpropyl)-1-pentylimidazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-1-pentylimidazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-1-pentylimidazol-2-amine is CCCCCn1c(CC(C)C)cnc1N.
What is the InChIKey of 5-(2-methylpropyl)-1-pentylimidazol-2-amine?
The InChIKey is ODWIYAGSKURCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-6-7-15-11(8-10(2)3)9-14-12(15)13/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 5-(2-methylpropyl)-1-pentylimidazol-2-amine?
5-(2-methylpropyl)-1-pentylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-pentylimidazol-2-amine is sourced from PubChem (CID 56663228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).