N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine

C19H24N2 — CID 63536108

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NC(C)C1CC2CCC1C2
InChIInChI=1S/C19H24N2/c1-12-9-16-5-3-4-6-18(16)21-19(12)20-13(2)17-11-14-7-8-15(17)10-14/h3-6,9,13-15,17H,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeyMQJUQBQOAXCKIO-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.78
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine (PubChem CID 63536108) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine
PubChem CID63536108
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NC(C)C1CC2CCC1C2
InChIInChI=1S/C19H24N2/c1-12-9-16-5-3-4-6-18(16)21-19(12)20-13(2)17-11-14-7-8-15(17)10-14/h3-6,9,13-15,17H,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeyMQJUQBQOAXCKIO-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine (CID 63536108) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine?
The InChIKey is MQJUQBQOAXCKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-12-9-16-5-3-4-6-18(16)21-19(12)20-13(2)17-11-14-7-8-15(17)10-14/h3-6,9,13-15,17H,7-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine has a molecular weight of 280.42 g/mol, XLogP of 4.78, 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]heptanyl)ethyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 63536108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).