2-propylazete

C6H9N — CID 142780387

IUPAC2-propylazete
SMILESCCCC1=NC=C1
InChIInChI=1S/C6H9N/c1-2-3-6-4-5-7-6/h4-5H,2-3H2,1H3
InChIKeyXBZSTKHKXNPJDR-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.75
Rot. Bonds2

About 2-propylazete

2-propylazete (PubChem CID 142780387) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-propylazete.

Molecular Properties

Compound Name2-propylazete
PubChem CID142780387
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-propylazete
SMILESCCCC1=NC=C1
InChIInChI=1S/C6H9N/c1-2-3-6-4-5-7-6/h4-5H,2-3H2,1H3
InChIKeyXBZSTKHKXNPJDR-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propylazete?
The IUPAC name of 2-propylazete (CID 142780387) is 2-propylazete.
What is the SMILES notation for 2-propylazete?
The canonical SMILES for 2-propylazete is CCCC1=NC=C1.
What is the InChIKey of 2-propylazete?
The InChIKey is XBZSTKHKXNPJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-3-6-4-5-7-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-propylazete?
2-propylazete has a molecular weight of 95.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylazete is sourced from PubChem (CID 142780387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).