N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine

C14H14N2 — CID 105158296

IUPACN-ethyl-1-quinolin-5-ylprop-2-yn-1-amine
SMILESC#CC(NCC)c1cccc2ncccc12
InChIInChI=1S/C14H14N2/c1-3-13(15-4-2)11-7-5-9-14-12(11)8-6-10-16-14/h1,5-10,13,15H,4H2,2H3
InChIKeyGYHRNVMIYKXMGC-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.52
Rot. Bonds3

About N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine

N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine (PubChem CID 105158296) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-quinolin-5-ylprop-2-yn-1-amine
PubChem CID105158296
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC NameN-ethyl-1-quinolin-5-ylprop-2-yn-1-amine
SMILESC#CC(NCC)c1cccc2ncccc12
InChIInChI=1S/C14H14N2/c1-3-13(15-4-2)11-7-5-9-14-12(11)8-6-10-16-14/h1,5-10,13,15H,4H2,2H3
InChIKeyGYHRNVMIYKXMGC-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.52
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

N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-ethyl-1-quinolin-5-ylpentan-1-amine
CID 81231643
N,3-diethyl-1-quinolin-5-ylpentan-1-amine
CID 105176769
N-ethyl-2,2-dimethoxy-1-quinolin-5-ylethanamine
CID 81231933
N-ethyl-1-quinolin-5-ylhexan-1-amine
CID 105020078
N-[(1-methylcyclopropyl)-quinolin-5-ylmethyl]ethanamine
CID 81232158
N-ethyl-4-methyl-4-quinolin-5-ylpentan-2-amine
CID 81221548
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine (CID 105158296) is N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine is C#CC(NCC)c1cccc2ncccc12.
What is the InChIKey of N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine?
The InChIKey is GYHRNVMIYKXMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-13(15-4-2)11-7-5-9-14-12(11)8-6-10-16-14/h1,5-10,13,15H,4H2,2H3.
What are the key properties of N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine?
N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine has a molecular weight of 210.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine is sourced from PubChem (CID 105158296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).