[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine

C13H19FN2 — CID 104739408

IUPAC[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccncc1F
InChIInChI=1S/C13H19FN2/c14-13-9-16-7-6-12(13)11-5-3-1-2-4-10(11)8-15/h6-7,9-11H,1-5,8,15H2
InChIKeyNFZGXAUQOIHSOQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.84
Rot. Bonds2

About [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine

[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine (PubChem CID 104739408) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine
PubChem CID104739408
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccncc1F
InChIInChI=1S/C13H19FN2/c14-13-9-16-7-6-12(13)11-5-3-1-2-4-10(11)8-15/h6-7,9-11H,1-5,8,15H2
InChIKeyNFZGXAUQOIHSOQ-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine 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 [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine?
The IUPAC name of [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine (CID 104739408) is [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine is NCC1CCCCCC1c1ccncc1F.
What is the InChIKey of [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine?
The InChIKey is NFZGXAUQOIHSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-13-9-16-7-6-12(13)11-5-3-1-2-4-10(11)8-15/h6-7,9-11H,1-5,8,15H2.
What are the key properties of [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine?
[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine is sourced from PubChem (CID 104739408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).