3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine

C14H21FN2 — CID 62733989

IUPAC3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine
SMILESCCCC1CCC(Nc2ncccc2F)CC1
InChIInChI=1S/C14H21FN2/c1-2-4-11-6-8-12(9-7-11)17-14-13(15)5-3-10-16-14/h3,5,10-12H,2,4,6-9H2,1H3,(H,16,17)
InChIKeyLMYIJNUAUWBXBL-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.99
Rot. Bonds4

About 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine

3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine (PubChem CID 62733989) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine
PubChem CID62733989
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine
SMILESCCCC1CCC(Nc2ncccc2F)CC1
InChIInChI=1S/C14H21FN2/c1-2-4-11-6-8-12(9-7-11)17-14-13(15)5-3-10-16-14/h3,5,10-12H,2,4,6-9H2,1H3,(H,16,17)
InChIKeyLMYIJNUAUWBXBL-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine (CID 62733989) is 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine is CCCC1CCC(Nc2ncccc2F)CC1.
What is the InChIKey of 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine?
The InChIKey is LMYIJNUAUWBXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-4-11-6-8-12(9-7-11)17-14-13(15)5-3-10-16-14/h3,5,10-12H,2,4,6-9H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine?
3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine has a molecular weight of 236.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 62733989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).