N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine

C10H18FN — CID 80695529

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine
SMILESFCCNCC1CC2CCC1C2
InChIInChI=1S/C10H18FN/c11-3-4-12-7-10-6-8-1-2-9(10)5-8/h8-10,12H,1-7H2
InChIKeyQYXOPIYIFPFQHD-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.98
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine (PubChem CID 80695529) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine
PubChem CID80695529
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine
SMILESFCCNCC1CC2CCC1C2
InChIInChI=1S/C10H18FN/c11-3-4-12-7-10-6-8-1-2-9(10)5-8/h8-10,12H,1-7H2
InChIKeyQYXOPIYIFPFQHD-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine (CID 80695529) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine is FCCNCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine?
The InChIKey is QYXOPIYIFPFQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c11-3-4-12-7-10-6-8-1-2-9(10)5-8/h8-10,12H,1-7H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine has a molecular weight of 171.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoroethanamine is sourced from PubChem (CID 80695529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).