N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine

C18H20N2 — CID 43782750

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
SMILESCC(Nc1cnc2ccccc2c1)C1CC2C=CC1C2
InChIInChI=1S/C18H20N2/c1-12(17-9-13-6-7-14(17)8-13)20-16-10-15-4-2-3-5-18(15)19-11-16/h2-7,10-14,17,20H,8-9H2,1H3
InChIKeySFSIJMOXZJEVGW-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.25
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine (PubChem CID 43782750) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
PubChem CID43782750
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
SMILESCC(Nc1cnc2ccccc2c1)C1CC2C=CC1C2
InChIInChI=1S/C18H20N2/c1-12(17-9-13-6-7-14(17)8-13)20-16-10-15-4-2-3-5-18(15)19-11-16/h2-7,10-14,17,20H,8-9H2,1H3
InChIKeySFSIJMOXZJEVGW-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine (CID 43782750) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine is CC(Nc1cnc2ccccc2c1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine?
The InChIKey is SFSIJMOXZJEVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12(17-9-13-6-7-14(17)8-13)20-16-10-15-4-2-3-5-18(15)19-11-16/h2-7,10-14,17,20H,8-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine is sourced from PubChem (CID 43782750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).