2-butylazete

C7H11N — CID 142766088

IUPAC2-butylazete
SMILESCCCCC1=NC=C1
InChIInChI=1S/C7H11N/c1-2-3-4-7-5-6-8-7/h5-6H,2-4H2,1H3
InChIKeyYHWPYTNGJSUPTM-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds3

About 2-butylazete

2-butylazete (PubChem CID 142766088) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-butylazete.

Molecular Properties

Compound Name2-butylazete
PubChem CID142766088
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-butylazete
SMILESCCCCC1=NC=C1
InChIInChI=1S/C7H11N/c1-2-3-4-7-5-6-8-7/h5-6H,2-4H2,1H3
InChIKeyYHWPYTNGJSUPTM-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butylazete?
The IUPAC name of 2-butylazete (CID 142766088) is 2-butylazete.
What is the SMILES notation for 2-butylazete?
The canonical SMILES for 2-butylazete is CCCCC1=NC=C1.
What is the InChIKey of 2-butylazete?
The InChIKey is YHWPYTNGJSUPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-3-4-7-5-6-8-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-butylazete?
2-butylazete has a molecular weight of 109.17 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylazete is sourced from PubChem (CID 142766088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).