2-fluoroadamantan-1-amine

C10H16FN — CID 21427935

IUPAC2-fluoroadamantan-1-amine
SMILESNC12CC3CC(CC(C3)C1F)C2
InChIInChI=1S/C10H16FN/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5,12H2
InChIKeyTYIZQUYHTSEGMI-UHFFFAOYSA-N
MW169.24 g/mol
LogP1.86
Rot. Bonds

About 2-fluoroadamantan-1-amine

2-fluoroadamantan-1-amine (PubChem CID 21427935) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-fluoroadamantan-1-amine.

Molecular Properties

Compound Name2-fluoroadamantan-1-amine
PubChem CID21427935
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-fluoroadamantan-1-amine
SMILESNC12CC3CC(CC(C3)C1F)C2
InChIInChI=1S/C10H16FN/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5,12H2
InChIKeyTYIZQUYHTSEGMI-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroadamantan-1-amine?
The IUPAC name of 2-fluoroadamantan-1-amine (CID 21427935) is 2-fluoroadamantan-1-amine.
What is the SMILES notation for 2-fluoroadamantan-1-amine?
The canonical SMILES for 2-fluoroadamantan-1-amine is NC12CC3CC(CC(C3)C1F)C2.
What is the InChIKey of 2-fluoroadamantan-1-amine?
The InChIKey is TYIZQUYHTSEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5,12H2.
What are the key properties of 2-fluoroadamantan-1-amine?
2-fluoroadamantan-1-amine has a molecular weight of 169.24 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroadamantan-1-amine is sourced from PubChem (CID 21427935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).