N-(3-isoquinolin-4-ylpropyl)cyclopropanamine

C15H18N2 — CID 64506104

IUPACN-(3-isoquinolin-4-ylpropyl)cyclopropanamine
SMILESc1ccc2c(CCCNC3CC3)cncc2c1
InChIInChI=1S/C15H18N2/c1-2-6-15-12(4-1)10-16-11-13(15)5-3-9-17-14-7-8-14/h1-2,4,6,10-11,14,17H,3,5,7-9H2
InChIKeyIQTDZOIWAHVADU-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.92
Rot. Bonds5

About N-(3-isoquinolin-4-ylpropyl)cyclopropanamine

N-(3-isoquinolin-4-ylpropyl)cyclopropanamine (PubChem CID 64506104) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(3-isoquinolin-4-ylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-isoquinolin-4-ylpropyl)cyclopropanamine
PubChem CID64506104
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(3-isoquinolin-4-ylpropyl)cyclopropanamine
SMILESc1ccc2c(CCCNC3CC3)cncc2c1
InChIInChI=1S/C15H18N2/c1-2-6-15-12(4-1)10-16-11-13(15)5-3-9-17-14-7-8-14/h1-2,4,6,10-11,14,17H,3,5,7-9H2
InChIKeyIQTDZOIWAHVADU-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-isoquinolin-4-ylpropyl)cyclopropanamine 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-(3-isoquinolin-4-ylpropyl)cyclopropanamine?
The IUPAC name of N-(3-isoquinolin-4-ylpropyl)cyclopropanamine (CID 64506104) is N-(3-isoquinolin-4-ylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3-isoquinolin-4-ylpropyl)cyclopropanamine?
The canonical SMILES for N-(3-isoquinolin-4-ylpropyl)cyclopropanamine is c1ccc2c(CCCNC3CC3)cncc2c1.
What is the InChIKey of N-(3-isoquinolin-4-ylpropyl)cyclopropanamine?
The InChIKey is IQTDZOIWAHVADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-6-15-12(4-1)10-16-11-13(15)5-3-9-17-14-7-8-14/h1-2,4,6,10-11,14,17H,3,5,7-9H2.
What are the key properties of N-(3-isoquinolin-4-ylpropyl)cyclopropanamine?
N-(3-isoquinolin-4-ylpropyl)cyclopropanamine has a molecular weight of 226.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-isoquinolin-4-ylpropyl)cyclopropanamine is sourced from PubChem (CID 64506104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).