N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine

C15H21N3 — CID 55054429

IUPACN-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine
SMILESCCCN(C)c1nc(CNC)cc2ccccc12
InChIInChI=1S/C15H21N3/c1-4-9-18(3)15-14-8-6-5-7-12(14)10-13(17-15)11-16-2/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyWTSWMEVKEJSDRK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.80
Rot. Bonds5

About N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine

N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine (PubChem CID 55054429) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine.

Molecular Properties

Compound NameN-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine
PubChem CID55054429
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine
SMILESCCCN(C)c1nc(CNC)cc2ccccc12
InChIInChI=1S/C15H21N3/c1-4-9-18(3)15-14-8-6-5-7-12(14)10-13(17-15)11-16-2/h5-8,10,16H,4,9,11H2,1-3H3
InChIKeyWTSWMEVKEJSDRK-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine?
The IUPAC name of N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine (CID 55054429) is N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine.
What is the SMILES notation for N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine?
The canonical SMILES for N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine is CCCN(C)c1nc(CNC)cc2ccccc12.
What is the InChIKey of N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine?
The InChIKey is WTSWMEVKEJSDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-9-18(3)15-14-8-6-5-7-12(14)10-13(17-15)11-16-2/h5-8,10,16H,4,9,11H2,1-3H3.
What are the key properties of N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine?
N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine is sourced from PubChem (CID 55054429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).