N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine

C15H16N2 — CID 170465060

IUPACN-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine
SMILESCNCCC#Cc1ccc2cccnc2c1C
InChIInChI=1S/C15H16N2/c1-12-13(6-3-4-10-16-2)8-9-14-7-5-11-17-15(12)14/h5,7-9,11,16H,4,10H2,1-2H3
InChIKeyVTEZLIWPPYQEDU-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.50
Rot. Bonds2

About N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine

N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine (PubChem CID 170465060) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine
PubChem CID170465060
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine
SMILESCNCCC#Cc1ccc2cccnc2c1C
InChIInChI=1S/C15H16N2/c1-12-13(6-3-4-10-16-2)8-9-14-7-5-11-17-15(12)14/h5,7-9,11,16H,4,10H2,1-2H3
InChIKeyVTEZLIWPPYQEDU-UHFFFAOYSA-N
XLogP2.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethylquinoline;ethane
CID 91494918
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-[4-(methylamino)but-1-ynyl]phenol
CID 170463739
5-quinolin-8-ylpent-4-yn-1-amine
CID 106220165
N-methyl-4-quinoxalin-2-ylbut-3-yn-1-amine
CID 170464484
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
7-tert-butyl-8-methylquinoline
CID 146326372
4-[4-(methylamino)but-1-ynyl]benzene-1,3-diol
CID 170463882
4-(5-chloro-2-methylphenyl)-N-methylbut-3-yn-1-amine
CID 170463823
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
1,10-phenanthroline;samarium
CID 174616745

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine?
The IUPAC name of N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine (CID 170465060) is N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine.
What is the SMILES notation for N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine?
The canonical SMILES for N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine is CNCCC#Cc1ccc2cccnc2c1C.
What is the InChIKey of N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine?
The InChIKey is VTEZLIWPPYQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-12-13(6-3-4-10-16-2)8-9-14-7-5-11-17-15(12)14/h5,7-9,11,16H,4,10H2,1-2H3.
What are the key properties of N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine?
N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine has a molecular weight of 224.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine is sourced from PubChem (CID 170465060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).