2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide

C15H23N3O — CID 81214576

IUPAC2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cccc2c1CCCN2
InChIInChI=1S/C15H23N3O/c1-3-9-17-15(19)11-18(2)14-8-4-7-13-12(14)6-5-10-16-13/h4,7-8,16H,3,5-6,9-11H2,1-2H3,(H,17,19)
InChIKeySDCDHKVVINRGOG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.01
Rot. Bonds5

About 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide

2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide (PubChem CID 81214576) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide
PubChem CID81214576
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cccc2c1CCCN2
InChIInChI=1S/C15H23N3O/c1-3-9-17-15(19)11-18(2)14-8-4-7-13-12(14)6-5-10-16-13/h4,7-8,16H,3,5-6,9-11H2,1-2H3,(H,17,19)
InChIKeySDCDHKVVINRGOG-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
CID 81214504
1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CID 28786606
1-propyl-3-[2-(1,2,3,4-tetrahydroquinolin-5-yl)propan-2-yl]urea
CID 165487476
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinolin-5-amine
CID 81214914
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 63371318
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
N-(1,2,3,4-tetrahydroquinolin-5-yl)nonanamide
CID 65447430

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide (CID 81214576) is 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide is CCCNC(=O)CN(C)c1cccc2c1CCCN2.
What is the InChIKey of 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide?
The InChIKey is SDCDHKVVINRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-9-17-15(19)11-18(2)14-8-4-7-13-12(14)6-5-10-16-13/h4,7-8,16H,3,5-6,9-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide?
2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide has a molecular weight of 261.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-propylacetamide is sourced from PubChem (CID 81214576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).