(5S,7R)-3-fluoroadamantan-1-amine

C10H16FN — CID 90318409

IUPAC(5S,7R)-3-fluoroadamantan-1-amine
SMILESNC12C[C@H]3C[C@@H](C1)CC(F)(C3)C2
InChIInChI=1S/C10H16FN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?
InChIKeyUSUQQGKBGPIRRT-BQKDNTBBSA-N
MW169.24 g/mol
LogP2.01
Rot. Bonds

About (5S,7R)-3-fluoroadamantan-1-amine

(5S,7R)-3-fluoroadamantan-1-amine (PubChem CID 90318409) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (5S,7R)-3-fluoroadamantan-1-amine.

Molecular Properties

Compound Name(5S,7R)-3-fluoroadamantan-1-amine
PubChem CID90318409
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(5S,7R)-3-fluoroadamantan-1-amine
SMILESNC12C[C@H]3C[C@@H](C1)CC(F)(C3)C2
InChIInChI=1S/C10H16FN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?
InChIKeyUSUQQGKBGPIRRT-BQKDNTBBSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5S,7R)-3-fluoroadamantan-1-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 (5S,7R)-3-fluoroadamantan-1-amine?
The IUPAC name of (5S,7R)-3-fluoroadamantan-1-amine (CID 90318409) is (5S,7R)-3-fluoroadamantan-1-amine.
What is the SMILES notation for (5S,7R)-3-fluoroadamantan-1-amine?
The canonical SMILES for (5S,7R)-3-fluoroadamantan-1-amine is NC12C[C@H]3C[C@@H](C1)CC(F)(C3)C2.
What is the InChIKey of (5S,7R)-3-fluoroadamantan-1-amine?
The InChIKey is USUQQGKBGPIRRT-BQKDNTBBSA-N. The full InChI is InChI=1S/C10H16FN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?.
What are the key properties of (5S,7R)-3-fluoroadamantan-1-amine?
(5S,7R)-3-fluoroadamantan-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-fluoroadamantan-1-amine is sourced from PubChem (CID 90318409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).