N-methyl-1-quinolin-5-ylpent-4-yn-1-amine

C15H16N2 — CID 105149256

IUPACN-methyl-1-quinolin-5-ylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1cccc2ncccc12
InChIInChI=1S/C15H16N2/c1-3-4-9-14(16-2)12-7-5-10-15-13(12)8-6-11-17-15/h1,5-8,10-11,14,16H,4,9H2,2H3
InChIKeySDBQUPZYYIJJMV-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-1-quinolin-5-ylpent-4-yn-1-amine

N-methyl-1-quinolin-5-ylpent-4-yn-1-amine (PubChem CID 105149256) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-1-quinolin-5-ylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-quinolin-5-ylpent-4-yn-1-amine
PubChem CID105149256
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN-methyl-1-quinolin-5-ylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1cccc2ncccc12
InChIInChI=1S/C15H16N2/c1-3-4-9-14(16-2)12-7-5-10-15-13(12)8-6-11-17-15/h1,5-8,10-11,14,16H,4,9H2,2H3
InChIKeySDBQUPZYYIJJMV-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.91
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-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
N-methyl-1-quinolin-5-ylhex-5-en-1-amine
CID 105153263
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
CID 81232043
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
2-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81209499
N-methyl-2-(2-methylphenyl)-1-quinolin-5-ylethanamine
CID 81227621
N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine
CID 105158296
N-methyl-1-quinolin-5-yl-2-(thian-4-yl)ethanamine
CID 105171945
1-quinolin-5-ylpentylhydrazine
CID 105245773
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
N-ethyl-1-quinolin-5-ylpentan-1-amine
CID 81231643
N-methyl-1-(2-methylphenyl)pent-4-yn-1-amine
CID 63657700

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-5-ylpent-4-yn-1-amine?
The IUPAC name of N-methyl-1-quinolin-5-ylpent-4-yn-1-amine (CID 105149256) is N-methyl-1-quinolin-5-ylpent-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-quinolin-5-ylpent-4-yn-1-amine?
The canonical SMILES for N-methyl-1-quinolin-5-ylpent-4-yn-1-amine is C#CCCC(NC)c1cccc2ncccc12.
What is the InChIKey of N-methyl-1-quinolin-5-ylpent-4-yn-1-amine?
The InChIKey is SDBQUPZYYIJJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-4-9-14(16-2)12-7-5-10-15-13(12)8-6-11-17-15/h1,5-8,10-11,14,16H,4,9H2,2H3.
What are the key properties of N-methyl-1-quinolin-5-ylpent-4-yn-1-amine?
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine has a molecular weight of 224.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-5-ylpent-4-yn-1-amine is sourced from PubChem (CID 105149256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).