N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine

C13H15N3 — CID 44594455

IUPACN-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
SMILESc1cc(N[C@@H]2CCNC2)c2ccncc2c1
InChIInChI=1S/C13H15N3/c1-2-10-8-14-7-5-12(10)13(3-1)16-11-4-6-15-9-11/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m1/s1
InChIKeyHOTGJYAYVQJOMO-LLVKDONJSA-N
MW213.28 g/mol
LogP2.01
Rot. Bonds2

About N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine

N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine (PubChem CID 44594455) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
PubChem CID44594455
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
SMILESc1cc(N[C@@H]2CCNC2)c2ccncc2c1
InChIInChI=1S/C13H15N3/c1-2-10-8-14-7-5-12(10)13(3-1)16-11-4-6-15-9-11/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m1/s1
InChIKeyHOTGJYAYVQJOMO-LLVKDONJSA-N
XLogP2.01
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine (CID 44594455) is N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine is c1cc(N[C@@H]2CCNC2)c2ccncc2c1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine?
The InChIKey is HOTGJYAYVQJOMO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-10-8-14-7-5-12(10)13(3-1)16-11-4-6-15-9-11/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine?
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine has a molecular weight of 213.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 44594455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).