7-propan-2-ylisoquinolin-3-amine

C12H14N2 — CID 135215168

IUPAC7-propan-2-ylisoquinolin-3-amine
SMILESCC(C)c1ccc2cc(N)ncc2c1
InChIInChI=1S/C12H14N2/c1-8(2)9-3-4-10-6-12(13)14-7-11(10)5-9/h3-8H,1-2H3,(H2,13,14)
InChIKeyDFSDVKXEUSAGMU-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.94
Rot. Bonds1

About 7-propan-2-ylisoquinolin-3-amine

7-propan-2-ylisoquinolin-3-amine (PubChem CID 135215168) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 7-propan-2-ylisoquinolin-3-amine.

Molecular Properties

Compound Name7-propan-2-ylisoquinolin-3-amine
PubChem CID135215168
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name7-propan-2-ylisoquinolin-3-amine
SMILESCC(C)c1ccc2cc(N)ncc2c1
InChIInChI=1S/C12H14N2/c1-8(2)9-3-4-10-6-12(13)14-7-11(10)5-9/h3-8H,1-2H3,(H2,13,14)
InChIKeyDFSDVKXEUSAGMU-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylisoquinolin-3-amine?
The IUPAC name of 7-propan-2-ylisoquinolin-3-amine (CID 135215168) is 7-propan-2-ylisoquinolin-3-amine.
What is the SMILES notation for 7-propan-2-ylisoquinolin-3-amine?
The canonical SMILES for 7-propan-2-ylisoquinolin-3-amine is CC(C)c1ccc2cc(N)ncc2c1.
What is the InChIKey of 7-propan-2-ylisoquinolin-3-amine?
The InChIKey is DFSDVKXEUSAGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8(2)9-3-4-10-6-12(13)14-7-11(10)5-9/h3-8H,1-2H3,(H2,13,14).
What are the key properties of 7-propan-2-ylisoquinolin-3-amine?
7-propan-2-ylisoquinolin-3-amine has a molecular weight of 186.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylisoquinolin-3-amine is sourced from PubChem (CID 135215168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).