1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine

C16H25FN2 — CID 104739476

IUPAC1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2ccncc2F)C1
InChIInChI=1S/C16H25FN2/c1-3-4-12-5-6-13(10-18-2)15(9-12)14-7-8-19-11-16(14)17/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3
InChIKeyLCMIFECPYCGVIV-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine

1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine (PubChem CID 104739476) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
PubChem CID104739476
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
SMILESCCCC1CCC(CNC)C(c2ccncc2F)C1
InChIInChI=1S/C16H25FN2/c1-3-4-12-5-6-13(10-18-2)15(9-12)14-7-8-19-11-16(14)17/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3
InChIKeyLCMIFECPYCGVIV-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine (CID 104739476) is 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine is CCCC1CCC(CNC)C(c2ccncc2F)C1.
What is the InChIKey of 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine?
The InChIKey is LCMIFECPYCGVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-4-12-5-6-13(10-18-2)15(9-12)14-7-8-19-11-16(14)17/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine?
1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 104739476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).