N-(1-adamantylmethyl)-5-fluoropyridin-2-amine

C16H21FN2 — CID 138756354

IUPACN-(1-adamantylmethyl)-5-fluoropyridin-2-amine
SMILESFc1ccc(NCC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C16H21FN2/c17-14-1-2-15(18-9-14)19-10-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,9,11-13H,3-8,10H2,(H,18,19)
InChIKeyZNZKTDWFFVRIBI-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.85
Rot. Bonds3

About N-(1-adamantylmethyl)-5-fluoropyridin-2-amine

N-(1-adamantylmethyl)-5-fluoropyridin-2-amine (PubChem CID 138756354) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-fluoropyridin-2-amine
PubChem CID138756354
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC NameN-(1-adamantylmethyl)-5-fluoropyridin-2-amine
SMILESFc1ccc(NCC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C16H21FN2/c17-14-1-2-15(18-9-14)19-10-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,9,11-13H,3-8,10H2,(H,18,19)
InChIKeyZNZKTDWFFVRIBI-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-fluoropyridin-2-amine?
The IUPAC name of N-(1-adamantylmethyl)-5-fluoropyridin-2-amine (CID 138756354) is N-(1-adamantylmethyl)-5-fluoropyridin-2-amine.
What is the SMILES notation for N-(1-adamantylmethyl)-5-fluoropyridin-2-amine?
The canonical SMILES for N-(1-adamantylmethyl)-5-fluoropyridin-2-amine is Fc1ccc(NCC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of N-(1-adamantylmethyl)-5-fluoropyridin-2-amine?
The InChIKey is ZNZKTDWFFVRIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c17-14-1-2-15(18-9-14)19-10-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,9,11-13H,3-8,10H2,(H,18,19).
What are the key properties of N-(1-adamantylmethyl)-5-fluoropyridin-2-amine?
N-(1-adamantylmethyl)-5-fluoropyridin-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-fluoropyridin-2-amine is sourced from PubChem (CID 138756354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).