N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine

C16H21N3 — CID 55118761

IUPACN-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCc2cccc3cnccc23)C1
InChIInChI=1S/C16H21N3/c1-19-8-6-13(12-19)9-18-11-15-4-2-3-14-10-17-7-5-16(14)15/h2-5,7,10,13,18H,6,8-9,11-12H2,1H3
InChIKeyQFGUPHWJKBNLEC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.28
Rot. Bonds4

About N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine

N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 55118761) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID55118761
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CNCc2cccc3cnccc23)C1
InChIInChI=1S/C16H21N3/c1-19-8-6-13(12-19)9-18-11-15-4-2-3-14-10-17-7-5-16(14)15/h2-5,7,10,13,18H,6,8-9,11-12H2,1H3
InChIKeyQFGUPHWJKBNLEC-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine 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-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine (CID 55118761) is N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine is CN1CCC(CNCc2cccc3cnccc23)C1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is QFGUPHWJKBNLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-8-6-13(12-19)9-18-11-15-4-2-3-14-10-17-7-5-16(14)15/h2-5,7,10,13,18H,6,8-9,11-12H2,1H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine?
N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 55118761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).