N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine

C17H23FN2 — CID 155921229

IUPACN-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine
SMILESFc1ccc(NCCC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C17H23FN2/c18-15-1-2-16(20-11-15)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-2,11-14H,3-10H2,(H,19,20)
InChIKeyQTJRJTNVFFZYTH-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.24
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine

N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine (PubChem CID 155921229) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine
PubChem CID155921229
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC NameN-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine
SMILESFc1ccc(NCCC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C17H23FN2/c18-15-1-2-16(20-11-15)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-2,11-14H,3-10H2,(H,19,20)
InChIKeyQTJRJTNVFFZYTH-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine (CID 155921229) is N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine is Fc1ccc(NCCC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine?
The InChIKey is QTJRJTNVFFZYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c18-15-1-2-16(20-11-15)19-4-3-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-2,11-14H,3-10H2,(H,19,20).
What are the key properties of N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine?
N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine has a molecular weight of 274.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 155921229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).