2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine

C14H21FN2 — CID 81418199

IUPAC2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cncc(F)c2)C1CC
InChIInChI=1S/C14H21FN2/c1-3-5-17-14-7-13(12(14)4-2)10-6-11(15)9-16-8-10/h6,8-9,12-14,17H,3-5,7H2,1-2H3
InChIKeyBCHJDRDMTKGKHE-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.10
Rot. Bonds5

About 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine

2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine (PubChem CID 81418199) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine
PubChem CID81418199
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cncc(F)c2)C1CC
InChIInChI=1S/C14H21FN2/c1-3-5-17-14-7-13(12(14)4-2)10-6-11(15)9-16-8-10/h6,8-9,12-14,17H,3-5,7H2,1-2H3
InChIKeyBCHJDRDMTKGKHE-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine (CID 81418199) is 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine is CCCNC1CC(c2cncc(F)c2)C1CC.
What is the InChIKey of 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine?
The InChIKey is BCHJDRDMTKGKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-5-17-14-7-13(12(14)4-2)10-6-11(15)9-16-8-10/h6,8-9,12-14,17H,3-5,7H2,1-2H3.
What are the key properties of 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine?
2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81418199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).