N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine

C15H19N3 — CID 81467572

IUPACN-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine
SMILESCC1CC(Nc2cccc3ccncc23)CN1C
InChIInChI=1S/C15H19N3/c1-11-8-13(10-18(11)2)17-15-5-3-4-12-6-7-16-9-14(12)15/h3-7,9,11,13,17H,8,10H2,1-2H3
InChIKeyODOZYIWTDCUHJG-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds2

About N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine

N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine (PubChem CID 81467572) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine
PubChem CID81467572
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine
SMILESCC1CC(Nc2cccc3ccncc23)CN1C
InChIInChI=1S/C15H19N3/c1-11-8-13(10-18(11)2)17-15-5-3-4-12-6-7-16-9-14(12)15/h3-7,9,11,13,17H,8,10H2,1-2H3
InChIKeyODOZYIWTDCUHJG-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine?
The IUPAC name of N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine (CID 81467572) is N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine?
The canonical SMILES for N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine is CC1CC(Nc2cccc3ccncc23)CN1C.
What is the InChIKey of N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine?
The InChIKey is ODOZYIWTDCUHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-8-13(10-18(11)2)17-15-5-3-4-12-6-7-16-9-14(12)15/h3-7,9,11,13,17H,8,10H2,1-2H3.
What are the key properties of N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine?
N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine has a molecular weight of 241.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine is sourced from PubChem (CID 81467572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).