N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine

C25H37N3 — CID 58564459

IUPACN-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCCCCCc1nc2ccccn2c1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H37N3/c1-2-3-4-5-6-7-10-22-24(28-12-9-8-11-23(28)26-22)27-25-16-19-13-20(17-25)15-21(14-19)18-25/h8-9,11-12,19-21,27H,2-7,10,13-18H2,1H3
InChIKeyYQUBTAQQVNETAU-UHFFFAOYSA-N
MW379.59 g/mol
LogP6.62
Rot. Bonds9

About N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine

N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine (PubChem CID 58564459) has the molecular formula C25H37N3 and a molecular weight of 379.59 g/mol. Its IUPAC name is N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine
PubChem CID58564459
Molecular FormulaC25H37N3
Molecular Weight379.59 g/mol
Exact Mass379.30
IUPAC NameN-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCCCCCc1nc2ccccn2c1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H37N3/c1-2-3-4-5-6-7-10-22-24(28-12-9-8-11-23(28)26-22)27-25-16-19-13-20(17-25)15-21(14-19)18-25/h8-9,11-12,19-21,27H,2-7,10,13-18H2,1H3
InChIKeyYQUBTAQQVNETAU-UHFFFAOYSA-N
XLogP6.62
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.62
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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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine (CID 58564459) is N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine is CCCCCCCCc1nc2ccccn2c1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is YQUBTAQQVNETAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3/c1-2-3-4-5-6-7-10-22-24(28-12-9-8-11-23(28)26-22)27-25-16-19-13-20(17-25)15-21(14-19)18-25/h8-9,11-12,19-21,27H,2-7,10,13-18H2,1H3.
What are the key properties of N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine?
N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 379.59 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-octylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 58564459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).