1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine

C17H20N2 — CID 115852970

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
SMILESCNC(c1cccc2cnccc12)C1CC2CC2C1
InChIInChI=1S/C17H20N2/c1-18-17(14-8-12-7-13(12)9-14)16-4-2-3-11-10-19-6-5-15(11)16/h2-6,10,12-14,17-18H,7-9H2,1H3
InChIKeyWMFLGDSXRYFHMG-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.54
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine

1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine (PubChem CID 115852970) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
PubChem CID115852970
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
SMILESCNC(c1cccc2cnccc12)C1CC2CC2C1
InChIInChI=1S/C17H20N2/c1-18-17(14-8-12-7-13(12)9-14)16-4-2-3-11-10-19-6-5-15(11)16/h2-6,10,12-14,17-18H,7-9H2,1H3
InChIKeyWMFLGDSXRYFHMG-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine with MolForge

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Related Compounds

1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
4-isoquinolin-5-yl-N-methylpentan-2-amine
CID 64719637
1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 107005206
1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
CID 105143463
N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine
CID 107004399
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine
CID 105229453
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
2-cyclohexylsulfanyl-1-isoquinolin-5-yl-N-methylethanamine
CID 65139457

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine (CID 115852970) is 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine is CNC(c1cccc2cnccc12)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine?
The InChIKey is WMFLGDSXRYFHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-18-17(14-8-12-7-13(12)9-14)16-4-2-3-11-10-19-6-5-15(11)16/h2-6,10,12-14,17-18H,7-9H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine is sourced from PubChem (CID 115852970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).