3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine

C12H17FN2 — CID 64907455

IUPAC3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2cncc(F)c2)C1C
InChIInChI=1S/C12H17FN2/c1-8-11(3-4-12(8)14-2)9-5-10(13)7-15-6-9/h5-8,11-12,14H,3-4H2,1-2H3
InChIKeySNEOHEWMOWAXLC-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.32
Rot. Bonds2

About 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine

3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 64907455) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine
PubChem CID64907455
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2cncc(F)c2)C1C
InChIInChI=1S/C12H17FN2/c1-8-11(3-4-12(8)14-2)9-5-10(13)7-15-6-9/h5-8,11-12,14H,3-4H2,1-2H3
InChIKeySNEOHEWMOWAXLC-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine (CID 64907455) is 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine is CNC1CCC(c2cncc(F)c2)C1C.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is SNEOHEWMOWAXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8-11(3-4-12(8)14-2)9-5-10(13)7-15-6-9/h5-8,11-12,14H,3-4H2,1-2H3.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine?
3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 208.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64907455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).