1-ethenylazepane

C8H15N — CID 66742750

IUPAC1-ethenylazepane
SMILESC=CN1CCCCCC1
InChIInChI=1S/C8H15N/c1-2-9-7-5-3-4-6-8-9/h2H,1,3-8H2
InChIKeyBLFGFFGRAYTSCO-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.01
Rot. Bonds1

About 1-ethenylazepane

1-ethenylazepane (PubChem CID 66742750) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 1-ethenylazepane.

Molecular Properties

Compound Name1-ethenylazepane
PubChem CID66742750
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name1-ethenylazepane
SMILESC=CN1CCCCCC1
InChIInChI=1S/C8H15N/c1-2-9-7-5-3-4-6-8-9/h2H,1,3-8H2
InChIKeyBLFGFFGRAYTSCO-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylazepane?
The IUPAC name of 1-ethenylazepane (CID 66742750) is 1-ethenylazepane.
What is the SMILES notation for 1-ethenylazepane?
The canonical SMILES for 1-ethenylazepane is C=CN1CCCCCC1.
What is the InChIKey of 1-ethenylazepane?
The InChIKey is BLFGFFGRAYTSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-9-7-5-3-4-6-8-9/h2H,1,3-8H2.
What are the key properties of 1-ethenylazepane?
1-ethenylazepane has a molecular weight of 125.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylazepane is sourced from PubChem (CID 66742750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).