N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine

C11H20FN — CID 81105744

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine
SMILESFCCCNCC1CC2CCC1C2
InChIInChI=1S/C11H20FN/c12-4-1-5-13-8-11-7-9-2-3-10(11)6-9/h9-11,13H,1-8H2
InChIKeyOTZBQJXKCLVAOS-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.37
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine (PubChem CID 81105744) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine
PubChem CID81105744
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine
SMILESFCCCNCC1CC2CCC1C2
InChIInChI=1S/C11H20FN/c12-4-1-5-13-8-11-7-9-2-3-10(11)6-9/h9-11,13H,1-8H2
InChIKeyOTZBQJXKCLVAOS-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.37
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)-3-fluoropropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine (CID 81105744) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine is FCCCNCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine?
The InChIKey is OTZBQJXKCLVAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c12-4-1-5-13-8-11-7-9-2-3-10(11)6-9/h9-11,13H,1-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropropan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.37, 5 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)-3-fluoropropan-1-amine is sourced from PubChem (CID 81105744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).