3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine

C14H15N3 — CID 69122033

IUPAC3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CN(c3nccc4ccccc34)CC12
InChIInChI=1S/C14H15N3/c15-13-11-7-17(8-12(11)13)14-10-4-2-1-3-9(10)5-6-16-14/h1-6,11-13H,7-8,15H2
InChIKeyJUMBVBQKHSQHCY-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.63
Rot. Bonds1

About 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine

3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 69122033) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID69122033
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CN(c3nccc4ccccc34)CC12
InChIInChI=1S/C14H15N3/c15-13-11-7-17(8-12(11)13)14-10-4-2-1-3-9(10)5-6-16-14/h1-6,11-13H,7-8,15H2
InChIKeyJUMBVBQKHSQHCY-UHFFFAOYSA-N
XLogP1.63
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine (CID 69122033) is 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine is NC1C2CN(c3nccc4ccccc34)CC12.
What is the InChIKey of 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is JUMBVBQKHSQHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-13-11-7-17(8-12(11)13)14-10-4-2-1-3-9(10)5-6-16-14/h1-6,11-13H,7-8,15H2.
What are the key properties of 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine?
3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 225.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 69122033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).