N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline

C15H14N2 — CID 11218324

IUPACN-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline
SMILESCc1cccc(C#CCNc2ccccc2)n1
InChIInChI=1S/C15H14N2/c1-13-7-5-10-15(17-13)11-6-12-16-14-8-3-2-4-9-14/h2-5,7-10,16H,12H2,1H3
InChIKeyUQHRWUGOFGOOMR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.85
Rot. Bonds2

About N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline

N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline (PubChem CID 11218324) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline.

Molecular Properties

Compound NameN-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline
PubChem CID11218324
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC NameN-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline
SMILESCc1cccc(C#CCNc2ccccc2)n1
InChIInChI=1S/C15H14N2/c1-13-7-5-10-15(17-13)11-6-12-16-14-8-3-2-4-9-14/h2-5,7-10,16H,12H2,1H3
InChIKeyUQHRWUGOFGOOMR-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.85
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-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline?
The IUPAC name of N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline (CID 11218324) is N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline.
What is the SMILES notation for N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline?
The canonical SMILES for N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline is Cc1cccc(C#CCNc2ccccc2)n1.
What is the InChIKey of N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline?
The InChIKey is UQHRWUGOFGOOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-13-7-5-10-15(17-13)11-6-12-16-14-8-3-2-4-9-14/h2-5,7-10,16H,12H2,1H3.
What are the key properties of N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline?
N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline has a molecular weight of 222.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-2-pyridinyl)prop-2-ynyl]aniline is sourced from PubChem (CID 11218324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).