2-cycloheptyloxadiazepane

C11H22N2O — CID 172833270

IUPAC2-cycloheptyloxadiazepane
SMILESC1CCCC(N2NCCCCO2)CC1
InChIInChI=1S/C11H22N2O/c1-2-4-8-11(7-3-1)13-12-9-5-6-10-14-13/h11-12H,1-10H2
InChIKeyVULXJBPFYORMOV-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.24
Rot. Bonds1

About 2-cycloheptyloxadiazepane

2-cycloheptyloxadiazepane (PubChem CID 172833270) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-cycloheptyloxadiazepane.

Molecular Properties

Compound Name2-cycloheptyloxadiazepane
PubChem CID172833270
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-cycloheptyloxadiazepane
SMILESC1CCCC(N2NCCCCO2)CC1
InChIInChI=1S/C11H22N2O/c1-2-4-8-11(7-3-1)13-12-9-5-6-10-14-13/h11-12H,1-10H2
InChIKeyVULXJBPFYORMOV-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxadiazepane?
The IUPAC name of 2-cycloheptyloxadiazepane (CID 172833270) is 2-cycloheptyloxadiazepane.
What is the SMILES notation for 2-cycloheptyloxadiazepane?
The canonical SMILES for 2-cycloheptyloxadiazepane is C1CCCC(N2NCCCCO2)CC1.
What is the InChIKey of 2-cycloheptyloxadiazepane?
The InChIKey is VULXJBPFYORMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-4-8-11(7-3-1)13-12-9-5-6-10-14-13/h11-12H,1-10H2.
What are the key properties of 2-cycloheptyloxadiazepane?
2-cycloheptyloxadiazepane has a molecular weight of 198.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxadiazepane is sourced from PubChem (CID 172833270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).