N-(2-adamantylmethyl)-3-fluoropyridin-2-amine

C16H21FN2 — CID 155921227

IUPACN-(2-adamantylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21FN2/c17-15-2-1-3-18-16(15)19-9-14-12-5-10-4-11(7-12)8-13(14)6-10/h1-3,10-14H,4-9H2,(H,18,19)
InChIKeyCAFPYYKFVQAFGI-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.70
Rot. Bonds3

About N-(2-adamantylmethyl)-3-fluoropyridin-2-amine

N-(2-adamantylmethyl)-3-fluoropyridin-2-amine (PubChem CID 155921227) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-3-fluoropyridin-2-amine
PubChem CID155921227
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC NameN-(2-adamantylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21FN2/c17-15-2-1-3-18-16(15)19-9-14-12-5-10-4-11(7-12)8-13(14)6-10/h1-3,10-14H,4-9H2,(H,18,19)
InChIKeyCAFPYYKFVQAFGI-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-3-fluoropyridin-2-amine?
The IUPAC name of N-(2-adamantylmethyl)-3-fluoropyridin-2-amine (CID 155921227) is N-(2-adamantylmethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(2-adamantylmethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-(2-adamantylmethyl)-3-fluoropyridin-2-amine is Fc1cccnc1NCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylmethyl)-3-fluoropyridin-2-amine?
The InChIKey is CAFPYYKFVQAFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c17-15-2-1-3-18-16(15)19-9-14-12-5-10-4-11(7-12)8-13(14)6-10/h1-3,10-14H,4-9H2,(H,18,19).
What are the key properties of N-(2-adamantylmethyl)-3-fluoropyridin-2-amine?
N-(2-adamantylmethyl)-3-fluoropyridin-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 155921227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).