1-(4-methylquinolin-2-yl)pent-3-yn-1-amine

C15H16N2 — CID 114755048

IUPAC1-(4-methylquinolin-2-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1cc(C)c2ccccc2n1
InChIInChI=1S/C15H16N2/c1-3-4-8-13(16)15-10-11(2)12-7-5-6-9-14(12)17-15/h5-7,9-10,13H,8,16H2,1-2H3
InChIKeyNLSIMRNUPGKGFZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine

1-(4-methylquinolin-2-yl)pent-3-yn-1-amine (PubChem CID 114755048) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(4-methylquinolin-2-yl)pent-3-yn-1-amine
PubChem CID114755048
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1-(4-methylquinolin-2-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1cc(C)c2ccccc2n1
InChIInChI=1S/C15H16N2/c1-3-4-8-13(16)15-10-11(2)12-7-5-6-9-14(12)17-15/h5-7,9-10,13H,8,16H2,1-2H3
InChIKeyNLSIMRNUPGKGFZ-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tacrine
CID 1935
Tetrahydro-beta-carboline
CID 107838
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
Tacrine Hydrochloride
CID 2723754
4-Methylquinoline
CID 10285
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
3-Aminoquinoline
CID 11375
Pirlindole
CID 68802
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
CID 121896
2-Methylquinolin-6-amine
CID 103148

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine?
The IUPAC name of 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine (CID 114755048) is 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine?
The canonical SMILES for 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine is CC#CCC(N)c1cc(C)c2ccccc2n1.
What is the InChIKey of 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine?
The InChIKey is NLSIMRNUPGKGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-4-8-13(16)15-10-11(2)12-7-5-6-9-14(12)17-15/h5-7,9-10,13H,8,16H2,1-2H3.
What are the key properties of 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine?
1-(4-methylquinolin-2-yl)pent-3-yn-1-amine has a molecular weight of 224.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylquinolin-2-yl)pent-3-yn-1-amine is sourced from PubChem (CID 114755048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).