3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine

C14H21FN2 — CID 104739065

IUPAC3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2ccncc2F)C1C
InChIInChI=1S/C14H21FN2/c1-3-7-17-14-5-4-11(10(14)2)12-6-8-16-9-13(12)15/h6,8-11,14,17H,3-5,7H2,1-2H3
InChIKeyFVEWJOFMDYEXKY-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.10
Rot. Bonds4

About 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine

3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 104739065) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine
PubChem CID104739065
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(c2ccncc2F)C1C
InChIInChI=1S/C14H21FN2/c1-3-7-17-14-5-4-11(10(14)2)12-6-8-16-9-13(12)15/h6,8-11,14,17H,3-5,7H2,1-2H3
InChIKeyFVEWJOFMDYEXKY-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine (CID 104739065) is 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(c2ccncc2F)C1C.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is FVEWJOFMDYEXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-7-17-14-5-4-11(10(14)2)12-6-8-16-9-13(12)15/h6,8-11,14,17H,3-5,7H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine?
3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 104739065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).