5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine

C12H23N3 — CID 43651212

IUPAC5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine
SMILESCC(C)(C)c1cnc(CCCCCN)[nH]1
InChIInChI=1S/C12H23N3/c1-12(2,3)10-9-14-11(15-10)7-5-4-6-8-13/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyGGAMPDDLYUEJML-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.38
Rot. Bonds5

About 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine

5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine (PubChem CID 43651212) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine
PubChem CID43651212
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine
SMILESCC(C)(C)c1cnc(CCCCCN)[nH]1
InChIInChI=1S/C12H23N3/c1-12(2,3)10-9-14-11(15-10)7-5-4-6-8-13/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyGGAMPDDLYUEJML-UHFFFAOYSA-N
XLogP2.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine?
The IUPAC name of 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine (CID 43651212) is 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine?
The canonical SMILES for 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine is CC(C)(C)c1cnc(CCCCCN)[nH]1.
What is the InChIKey of 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine?
The InChIKey is GGAMPDDLYUEJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,3)10-9-14-11(15-10)7-5-4-6-8-13/h9H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine?
5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-1H-imidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 43651212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).