3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide

C13H19N3O — CID 80648694

IUPAC3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
SMILESNC(=O)CCNCc1cccc2c1NCCC2
InChIInChI=1S/C13H19N3O/c14-12(17)6-8-15-9-11-4-1-3-10-5-2-7-16-13(10)11/h1,3-4,15-16H,2,5-9H2,(H2,14,17)
InChIKeyCBNUXESCGASXGC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.01
Rot. Bonds5

About 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide

3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide (PubChem CID 80648694) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
PubChem CID80648694
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
SMILESNC(=O)CCNCc1cccc2c1NCCC2
InChIInChI=1S/C13H19N3O/c14-12(17)6-8-15-9-11-4-1-3-10-5-2-7-16-13(10)11/h1,3-4,15-16H,2,5-9H2,(H2,14,17)
InChIKeyCBNUXESCGASXGC-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide 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

Monoethylglycinexylidide
CID 24415
Tocainide
CID 38945
Tocainide Hydrochloride
CID 108173
Cvt-2738
CID 2608606
2',6'-Pipecoloxylidide
CID 115282
Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
2,6-Diethylacetanilide
CID 85534
N-[(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137641357
2H-Quinolizine-1-acetamide, octahydro-N-(2,6-dimethylphenyl)-, (1S-trans)-
CID 3074822
N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 648838
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188235
N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188347

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide?
The IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide (CID 80648694) is 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide?
The canonical SMILES for 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide is NC(=O)CCNCc1cccc2c1NCCC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide?
The InChIKey is CBNUXESCGASXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12(17)6-8-15-9-11-4-1-3-10-5-2-7-16-13(10)11/h1,3-4,15-16H,2,5-9H2,(H2,14,17).
What are the key properties of 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide?
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide is sourced from PubChem (CID 80648694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).