3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine

C17H21N3 — CID 62285737

IUPAC3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine
SMILESC=CCN(CC=C)c1nc(CNC)cc2ccccc12
InChIInChI=1S/C17H21N3/c1-4-10-20(11-5-2)17-16-9-7-6-8-14(16)12-15(19-17)13-18-3/h4-9,12,18H,1-2,10-11,13H2,3H3
InChIKeyVZOGXZYVPIBLAJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.13
Rot. Bonds7

About 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine

3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine (PubChem CID 62285737) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine.

Molecular Properties

Compound Name3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine
PubChem CID62285737
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine
SMILESC=CCN(CC=C)c1nc(CNC)cc2ccccc12
InChIInChI=1S/C17H21N3/c1-4-10-20(11-5-2)17-16-9-7-6-8-14(16)12-15(19-17)13-18-3/h4-9,12,18H,1-2,10-11,13H2,3H3
InChIKeyVZOGXZYVPIBLAJ-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine?
The IUPAC name of 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine (CID 62285737) is 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine.
What is the SMILES notation for 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine?
The canonical SMILES for 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine is C=CCN(CC=C)c1nc(CNC)cc2ccccc12.
What is the InChIKey of 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine?
The InChIKey is VZOGXZYVPIBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-4-10-20(11-5-2)17-16-9-7-6-8-14(16)12-15(19-17)13-18-3/h4-9,12,18H,1-2,10-11,13H2,3H3.
What are the key properties of 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine?
3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine has a molecular weight of 267.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N,N-bis(prop-2-enyl)isoquinolin-1-amine is sourced from PubChem (CID 62285737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).