[1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine

C16H21N3 — CID 106776991

IUPAC[1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine
SMILESCC1CC(C)N(c2ncc(CN)c3ccccc23)C1
InChIInChI=1S/C16H21N3/c1-11-7-12(2)19(10-11)16-15-6-4-3-5-14(15)13(8-17)9-18-16/h3-6,9,11-12H,7-8,10,17H2,1-2H3
InChIKeyGLYUQCVMQBYNHK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.93
Rot. Bonds2

About [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine

[1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine (PubChem CID 106776991) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine
PubChem CID106776991
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name[1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine
SMILESCC1CC(C)N(c2ncc(CN)c3ccccc23)C1
InChIInChI=1S/C16H21N3/c1-11-7-12(2)19(10-11)16-15-6-4-3-5-14(15)13(8-17)9-18-16/h3-6,9,11-12H,7-8,10,17H2,1-2H3
InChIKeyGLYUQCVMQBYNHK-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine?
The IUPAC name of [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine (CID 106776991) is [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine?
The canonical SMILES for [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine is CC1CC(C)N(c2ncc(CN)c3ccccc23)C1.
What is the InChIKey of [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine?
The InChIKey is GLYUQCVMQBYNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-7-12(2)19(10-11)16-15-6-4-3-5-14(15)13(8-17)9-18-16/h3-6,9,11-12H,7-8,10,17H2,1-2H3.
What are the key properties of [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine?
[1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylpyrrolidin-1-yl)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106776991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).