N-methyl-3-quinolin-3-ylprop-2-yn-1-amine

C13H12N2 — CID 114497793

IUPACN-methyl-3-quinolin-3-ylprop-2-yn-1-amine
SMILESCNCC#Cc1cnc2ccccc2c1
InChIInChI=1S/C13H12N2/c1-14-8-4-5-11-9-12-6-2-3-7-13(12)15-10-11/h2-3,6-7,9-10,14H,8H2,1H3
InChIKeyCEHXBVUHTDQJMZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.81
Rot. Bonds1

About N-methyl-3-quinolin-3-ylprop-2-yn-1-amine

N-methyl-3-quinolin-3-ylprop-2-yn-1-amine (PubChem CID 114497793) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-3-quinolin-3-ylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-quinolin-3-ylprop-2-yn-1-amine
PubChem CID114497793
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC NameN-methyl-3-quinolin-3-ylprop-2-yn-1-amine
SMILESCNCC#Cc1cnc2ccccc2c1
InChIInChI=1S/C13H12N2/c1-14-8-4-5-11-9-12-6-2-3-7-13(12)15-10-11/h2-3,6-7,9-10,14H,8H2,1H3
InChIKeyCEHXBVUHTDQJMZ-UHFFFAOYSA-N
XLogP1.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-quinolin-3-ylprop-2-yn-1-amine?
The IUPAC name of N-methyl-3-quinolin-3-ylprop-2-yn-1-amine (CID 114497793) is N-methyl-3-quinolin-3-ylprop-2-yn-1-amine.
What is the SMILES notation for N-methyl-3-quinolin-3-ylprop-2-yn-1-amine?
The canonical SMILES for N-methyl-3-quinolin-3-ylprop-2-yn-1-amine is CNCC#Cc1cnc2ccccc2c1.
What is the InChIKey of N-methyl-3-quinolin-3-ylprop-2-yn-1-amine?
The InChIKey is CEHXBVUHTDQJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-14-8-4-5-11-9-12-6-2-3-7-13(12)15-10-11/h2-3,6-7,9-10,14H,8H2,1H3.
What are the key properties of N-methyl-3-quinolin-3-ylprop-2-yn-1-amine?
N-methyl-3-quinolin-3-ylprop-2-yn-1-amine has a molecular weight of 196.25 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-quinolin-3-ylprop-2-yn-1-amine is sourced from PubChem (CID 114497793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).