N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine

C11H18FN — CID 115733094

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine
SMILESFCCCNCC1CC2C=CC1C2
InChIInChI=1S/C11H18FN/c12-4-1-5-13-8-11-7-9-2-3-10(11)6-9/h2-3,9-11,13H,1,4-8H2
InChIKeyGFKKKNOQWJNEEV-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.15
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine (PubChem CID 115733094) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine
PubChem CID115733094
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine
SMILESFCCCNCC1CC2C=CC1C2
InChIInChI=1S/C11H18FN/c12-4-1-5-13-8-11-7-9-2-3-10(11)6-9/h2-3,9-11,13H,1,4-8H2
InChIKeyGFKKKNOQWJNEEV-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine (CID 115733094) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine is FCCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine?
The InChIKey is GFKKKNOQWJNEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c12-4-1-5-13-8-11-7-9-2-3-10(11)6-9/h2-3,9-11,13H,1,4-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.15, 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]hept-5-enylmethyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 115733094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).