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

C15H23N3O — CID 80649190

IUPACN,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
SMILESCN(C)C(=O)CCNCc1cccc2c1NCCC2
InChIInChI=1S/C15H23N3O/c1-18(2)14(19)8-10-16-11-13-6-3-5-12-7-4-9-17-15(12)13/h3,5-6,16-17H,4,7-11H2,1-2H3
InChIKeyUKCOFWSWMIKTMC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.61
Rot. Bonds5

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

N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide (PubChem CID 80649190) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
PubChem CID80649190
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
SMILESCN(C)C(=O)CCNCc1cccc2c1NCCC2
InChIInChI=1S/C15H23N3O/c1-18(2)14(19)8-10-16-11-13-6-3-5-12-7-4-9-17-15(12)13/h3,5-6,16-17H,4,7-11H2,1-2H3
InChIKeyUKCOFWSWMIKTMC-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide (CID 80649190) is N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide is CN(C)C(=O)CCNCc1cccc2c1NCCC2.
What is the InChIKey of N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide?
The InChIKey is UKCOFWSWMIKTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)14(19)8-10-16-11-13-6-3-5-12-7-4-9-17-15(12)13/h3,5-6,16-17H,4,7-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide?
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide is sourced from PubChem (CID 80649190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).