N-propylisoquinolin-8-amine

C12H14N2 — CID 54033424

IUPACN-propylisoquinolin-8-amine
SMILESCCCNc1cccc2ccncc12
InChIInChI=1S/C12H14N2/c1-2-7-14-12-5-3-4-10-6-8-13-9-11(10)12/h3-6,8-9,14H,2,7H2,1H3
InChIKeyLHFURERYICMOML-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.06
Rot. Bonds3

About N-propylisoquinolin-8-amine

N-propylisoquinolin-8-amine (PubChem CID 54033424) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-propylisoquinolin-8-amine.

Molecular Properties

Compound NameN-propylisoquinolin-8-amine
PubChem CID54033424
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-propylisoquinolin-8-amine
SMILESCCCNc1cccc2ccncc12
InChIInChI=1S/C12H14N2/c1-2-7-14-12-5-3-4-10-6-8-13-9-11(10)12/h3-6,8-9,14H,2,7H2,1H3
InChIKeyLHFURERYICMOML-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propylisoquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propylisoquinolin-8-amine?
The IUPAC name of N-propylisoquinolin-8-amine (CID 54033424) is N-propylisoquinolin-8-amine.
What is the SMILES notation for N-propylisoquinolin-8-amine?
The canonical SMILES for N-propylisoquinolin-8-amine is CCCNc1cccc2ccncc12.
What is the InChIKey of N-propylisoquinolin-8-amine?
The InChIKey is LHFURERYICMOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-7-14-12-5-3-4-10-6-8-13-9-11(10)12/h3-6,8-9,14H,2,7H2,1H3.
What are the key properties of N-propylisoquinolin-8-amine?
N-propylisoquinolin-8-amine has a molecular weight of 186.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylisoquinolin-8-amine is sourced from PubChem (CID 54033424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).