2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine

C14H17N3 — CID 104505164

IUPAC2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)C1c1cncc2ccccc12
InChIInChI=1S/C14H17N3/c1-17-7-6-13(15)14(17)12-9-16-8-10-4-2-3-5-11(10)12/h2-5,8-9,13-14H,6-7,15H2,1H3
InChIKeyKCTRONPJCSYINJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.94
Rot. Bonds1

About 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine

2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine (PubChem CID 104505164) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine
PubChem CID104505164
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)C1c1cncc2ccccc12
InChIInChI=1S/C14H17N3/c1-17-7-6-13(15)14(17)12-9-16-8-10-4-2-3-5-11(10)12/h2-5,8-9,13-14H,6-7,15H2,1H3
InChIKeyKCTRONPJCSYINJ-UHFFFAOYSA-N
XLogP1.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine?
The IUPAC name of 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine (CID 104505164) is 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine?
The canonical SMILES for 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine is CN1CCC(N)C1c1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine?
The InChIKey is KCTRONPJCSYINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-7-6-13(15)14(17)12-9-16-8-10-4-2-3-5-11(10)12/h2-5,8-9,13-14H,6-7,15H2,1H3.
What are the key properties of 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine?
2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine has a molecular weight of 227.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 104505164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).