5-but-2-en-2-ylpyridin-2-amine

C9H12N2 — CID 67493264

IUPAC5-but-2-en-2-ylpyridin-2-amine
SMILESCC=C(C)c1ccc(N)nc1
InChIInChI=1S/C9H12N2/c1-3-7(2)8-4-5-9(10)11-6-8/h3-6H,1-2H3,(H2,10,11)
InChIKeyLRJKZZZTXKYMEQ-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.09
Rot. Bonds1

About 5-but-2-en-2-ylpyridin-2-amine

5-but-2-en-2-ylpyridin-2-amine (PubChem CID 67493264) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-but-2-en-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-but-2-en-2-ylpyridin-2-amine
PubChem CID67493264
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-but-2-en-2-ylpyridin-2-amine
SMILESCC=C(C)c1ccc(N)nc1
InChIInChI=1S/C9H12N2/c1-3-7(2)8-4-5-9(10)11-6-8/h3-6H,1-2H3,(H2,10,11)
InChIKeyLRJKZZZTXKYMEQ-UHFFFAOYSA-N
XLogP2.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-ylpyridin-2-amine?
The IUPAC name of 5-but-2-en-2-ylpyridin-2-amine (CID 67493264) is 5-but-2-en-2-ylpyridin-2-amine.
What is the SMILES notation for 5-but-2-en-2-ylpyridin-2-amine?
The canonical SMILES for 5-but-2-en-2-ylpyridin-2-amine is CC=C(C)c1ccc(N)nc1.
What is the InChIKey of 5-but-2-en-2-ylpyridin-2-amine?
The InChIKey is LRJKZZZTXKYMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-7(2)8-4-5-9(10)11-6-8/h3-6H,1-2H3,(H2,10,11).
What are the key properties of 5-but-2-en-2-ylpyridin-2-amine?
5-but-2-en-2-ylpyridin-2-amine has a molecular weight of 148.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-ylpyridin-2-amine is sourced from PubChem (CID 67493264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).