5-(3-octylimidazol-4-yl)pyridin-2-amine

C16H24N4 — CID 114721585

IUPAC5-(3-octylimidazol-4-yl)pyridin-2-amine
SMILESCCCCCCCCn1cncc1-c1ccc(N)nc1
InChIInChI=1S/C16H24N4/c1-2-3-4-5-6-7-10-20-13-18-12-15(20)14-8-9-16(17)19-11-14/h8-9,11-13H,2-7,10H2,1H3,(H2,17,19)
InChIKeyXFDILGOGFDQKRR-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.89
Rot. Bonds8

About 5-(3-octylimidazol-4-yl)pyridin-2-amine

5-(3-octylimidazol-4-yl)pyridin-2-amine (PubChem CID 114721585) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-(3-octylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-octylimidazol-4-yl)pyridin-2-amine
PubChem CID114721585
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5-(3-octylimidazol-4-yl)pyridin-2-amine
SMILESCCCCCCCCn1cncc1-c1ccc(N)nc1
InChIInChI=1S/C16H24N4/c1-2-3-4-5-6-7-10-20-13-18-12-15(20)14-8-9-16(17)19-11-14/h8-9,11-13H,2-7,10H2,1H3,(H2,17,19)
InChIKeyXFDILGOGFDQKRR-UHFFFAOYSA-N
XLogP3.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-octylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-(3-octylimidazol-4-yl)pyridin-2-amine (CID 114721585) is 5-(3-octylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-(3-octylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-(3-octylimidazol-4-yl)pyridin-2-amine is CCCCCCCCn1cncc1-c1ccc(N)nc1.
What is the InChIKey of 5-(3-octylimidazol-4-yl)pyridin-2-amine?
The InChIKey is XFDILGOGFDQKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-3-4-5-6-7-10-20-13-18-12-15(20)14-8-9-16(17)19-11-14/h8-9,11-13H,2-7,10H2,1H3,(H2,17,19).
What are the key properties of 5-(3-octylimidazol-4-yl)pyridin-2-amine?
5-(3-octylimidazol-4-yl)pyridin-2-amine has a molecular weight of 272.40 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-octylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114721585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).