N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine

C18H23N3 — CID 62738794

IUPACN-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc2cnccc12
InChIInChI=1S/C18H23N3/c1-2-20-14-10-15-6-7-16(11-14)21(15)18-5-3-4-13-12-19-9-8-17(13)18/h3-5,8-9,12,14-16,20H,2,6-7,10-11H2,1H3
InChIKeyPWRVOYQROOCDHW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.34
Rot. Bonds3

About N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738794) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738794
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc2cnccc12
InChIInChI=1S/C18H23N3/c1-2-20-14-10-15-6-7-16(11-14)21(15)18-5-3-4-13-12-19-9-8-17(13)18/h3-5,8-9,12,14-16,20H,2,6-7,10-11H2,1H3
InChIKeyPWRVOYQROOCDHW-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine (CID 62738794) is N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1cccc2cnccc12.
What is the InChIKey of N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PWRVOYQROOCDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-20-14-10-15-6-7-16(11-14)21(15)18-5-3-4-13-12-19-9-8-17(13)18/h3-5,8-9,12,14-16,20H,2,6-7,10-11H2,1H3.
What are the key properties of N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).