N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C15H23N3O — CID 104558797

IUPACN-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCNCCCN(C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C15H23N3O/c1-16-8-4-10-18(2)15(19)14-6-3-5-12-11-17-9-7-13(12)14/h3,5-6,16-17H,4,7-11H2,1-2H3
InChIKeySDBHOWPXKRLRBH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.01
Rot. Bonds5

About N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558797) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558797
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCNCCCN(C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C15H23N3O/c1-16-8-4-10-18(2)15(19)14-6-3-5-12-11-17-9-7-13(12)14/h3,5-6,16-17H,4,7-11H2,1-2H3
InChIKeySDBHOWPXKRLRBH-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide 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

N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489140
N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558764
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107317575
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558264
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetic acid
CID 110489133
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558759
methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate
CID 110489154

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558797) is N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CNCCCN(C)C(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is SDBHOWPXKRLRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-8-4-10-18(2)15(19)14-6-3-5-12-11-17-9-7-13(12)14/h3,5-6,16-17H,4,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).