N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine

C19H22N2 — CID 63476704

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NC(C)C3CC4C=CC3C4)c2n1
InChIInChI=1S/C19H22N2/c1-12-6-8-15-4-3-5-18(19(15)20-12)21-13(2)17-11-14-7-9-16(17)10-14/h3-9,13-14,16-17,21H,10-11H2,1-2H3
InChIKeyGPZYHANJZSPZNF-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.56
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine (PubChem CID 63476704) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine
PubChem CID63476704
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NC(C)C3CC4C=CC3C4)c2n1
InChIInChI=1S/C19H22N2/c1-12-6-8-15-4-3-5-18(19(15)20-12)21-13(2)17-11-14-7-9-16(17)10-14/h3-9,13-14,16-17,21H,10-11H2,1-2H3
InChIKeyGPZYHANJZSPZNF-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43781182
(2-methylquinolin-8-yl)hydrazine
CID 957615
2-[(2-methylquinolin-8-yl)amino]propanoic acid
CID 66173350
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline
CID 43787868
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-chloro-4-methylaniline
CID 43772670
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylsulfonylaniline
CID 43789595
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline
CID 43792097
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
CID 43762976
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-bromo-3,5-dimethylaniline
CID 107571952
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
CID 104652980

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine (CID 63476704) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine is Cc1ccc2cccc(NC(C)C3CC4C=CC3C4)c2n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine?
The InChIKey is GPZYHANJZSPZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-12-6-8-15-4-3-5-18(19(15)20-12)21-13(2)17-11-14-7-9-16(17)10-14/h3-9,13-14,16-17,21H,10-11H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine has a molecular weight of 278.40 g/mol, XLogP of 4.56, 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]-2-methylquinolin-8-amine is sourced from PubChem (CID 63476704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).