N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine

C13H19FN2 — CID 116539398

IUPACN-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2cncc(F)c2)C1
InChIInChI=1S/C13H19FN2/c1-3-16-12-4-5-13(2,7-12)10-6-11(14)9-15-8-10/h6,8-9,12,16H,3-5,7H2,1-2H3
InChIKeyLIOUMZOMRUYSMN-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.64
Rot. Bonds3

About N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine

N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine (PubChem CID 116539398) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine
PubChem CID116539398
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2cncc(F)c2)C1
InChIInChI=1S/C13H19FN2/c1-3-16-12-4-5-13(2,7-12)10-6-11(14)9-15-8-10/h6,8-9,12,16H,3-5,7H2,1-2H3
InChIKeyLIOUMZOMRUYSMN-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine (CID 116539398) is N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine is CCNC1CCC(C)(c2cncc(F)c2)C1.
What is the InChIKey of N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine?
The InChIKey is LIOUMZOMRUYSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-16-12-4-5-13(2,7-12)10-6-11(14)9-15-8-10/h6,8-9,12,16H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine?
N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116539398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).