1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine

C18H25N3 — CID 104505134

IUPAC1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCCCN1CCC(CNC)C1c1cncc2ccccc12
InChIInChI=1S/C18H25N3/c1-3-9-21-10-8-15(11-19-2)18(21)17-13-20-12-14-6-4-5-7-16(14)17/h4-7,12-13,15,18-19H,3,8-11H2,1-2H3
InChIKeyZOPMKECWTAMXGH-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.23
Rot. Bonds5

About 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine

1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine (PubChem CID 104505134) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine
PubChem CID104505134
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCCCN1CCC(CNC)C1c1cncc2ccccc12
InChIInChI=1S/C18H25N3/c1-3-9-21-10-8-15(11-19-2)18(21)17-13-20-12-14-6-4-5-7-16(14)17/h4-7,12-13,15,18-19H,3,8-11H2,1-2H3
InChIKeyZOPMKECWTAMXGH-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-isoquinolin-4-yl-1-propylpiperidin-3-amine
CID 104505167
2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine
CID 104505164
N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine
CID 81016883
4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one
CID 104505155
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454759
1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 113329210
2-isoquinolin-4-ylcyclohexan-1-amine
CID 63938244
2-isoquinolin-4-ylcyclopentan-1-amine
CID 63938433
4-cyclohexylisoquinoline
CID 21394649

Frequently Asked Questions

What is the IUPAC name of 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine (CID 104505134) is 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine is CCCN1CCC(CNC)C1c1cncc2ccccc12.
What is the InChIKey of 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine?
The InChIKey is ZOPMKECWTAMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-9-21-10-8-15(11-19-2)18(21)17-13-20-12-14-6-4-5-7-16(14)17/h4-7,12-13,15,18-19H,3,8-11H2,1-2H3.
What are the key properties of 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine?
1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 104505134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).