ethane;isoquinolin-1-ylmethanamine

C12H16N2 — CID 145267324

IUPACethane;isoquinolin-1-ylmethanamine
SMILESCC.NCc1nccc2ccccc12
InChIInChI=1S/C10H10N2.C2H6/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;1-2/h1-6H,7,11H2;1-2H3
InChIKeyRZUUFPUZIRCGTE-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.72
Rot. Bonds1

About ethane;isoquinolin-1-ylmethanamine

ethane;isoquinolin-1-ylmethanamine (PubChem CID 145267324) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;isoquinolin-1-ylmethanamine.

Molecular Properties

Compound Nameethane;isoquinolin-1-ylmethanamine
PubChem CID145267324
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Nameethane;isoquinolin-1-ylmethanamine
SMILESCC.NCc1nccc2ccccc12
InChIInChI=1S/C10H10N2.C2H6/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;1-2/h1-6H,7,11H2;1-2H3
InChIKeyRZUUFPUZIRCGTE-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;isoquinolin-1-ylmethanamine?
The IUPAC name of ethane;isoquinolin-1-ylmethanamine (CID 145267324) is ethane;isoquinolin-1-ylmethanamine.
What is the SMILES notation for ethane;isoquinolin-1-ylmethanamine?
The canonical SMILES for ethane;isoquinolin-1-ylmethanamine is CC.NCc1nccc2ccccc12.
What is the InChIKey of ethane;isoquinolin-1-ylmethanamine?
The InChIKey is RZUUFPUZIRCGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C2H6/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;1-2/h1-6H,7,11H2;1-2H3.
What are the key properties of ethane;isoquinolin-1-ylmethanamine?
ethane;isoquinolin-1-ylmethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;isoquinolin-1-ylmethanamine is sourced from PubChem (CID 145267324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).