2-(3-methylbutyl)azete

C8H13N — CID 142775297

IUPAC2-(3-methylbutyl)azete
SMILESCC(C)CCC1=NC=C1
InChIInChI=1S/C8H13N/c1-7(2)3-4-8-5-6-9-8/h5-7H,3-4H2,1-2H3
InChIKeyANVWSKAJOKQRHP-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-methylbutyl)azete

2-(3-methylbutyl)azete (PubChem CID 142775297) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-(3-methylbutyl)azete.

Molecular Properties

Compound Name2-(3-methylbutyl)azete
PubChem CID142775297
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-(3-methylbutyl)azete
SMILESCC(C)CCC1=NC=C1
InChIInChI=1S/C8H13N/c1-7(2)3-4-8-5-6-9-8/h5-7H,3-4H2,1-2H3
InChIKeyANVWSKAJOKQRHP-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)azete?
The IUPAC name of 2-(3-methylbutyl)azete (CID 142775297) is 2-(3-methylbutyl)azete.
What is the SMILES notation for 2-(3-methylbutyl)azete?
The canonical SMILES for 2-(3-methylbutyl)azete is CC(C)CCC1=NC=C1.
What is the InChIKey of 2-(3-methylbutyl)azete?
The InChIKey is ANVWSKAJOKQRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)3-4-8-5-6-9-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)azete?
2-(3-methylbutyl)azete has a molecular weight of 123.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)azete is sourced from PubChem (CID 142775297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).