2-cyclohexyl-1,4-oxazepane

C11H21NO — CID 82601829

IUPAC2-cyclohexyl-1,4-oxazepane
SMILESC1CCC(C2CNCCCO2)CC1
InChIInChI=1S/C11H21NO/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h10-12H,1-9H2
InChIKeyHAARUDSVNMVQRU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds1

About 2-cyclohexyl-1,4-oxazepane

2-cyclohexyl-1,4-oxazepane (PubChem CID 82601829) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-cyclohexyl-1,4-oxazepane.

Molecular Properties

Compound Name2-cyclohexyl-1,4-oxazepane
PubChem CID82601829
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-cyclohexyl-1,4-oxazepane
SMILESC1CCC(C2CNCCCO2)CC1
InChIInChI=1S/C11H21NO/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h10-12H,1-9H2
InChIKeyHAARUDSVNMVQRU-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,4-oxazepane?
The IUPAC name of 2-cyclohexyl-1,4-oxazepane (CID 82601829) is 2-cyclohexyl-1,4-oxazepane.
What is the SMILES notation for 2-cyclohexyl-1,4-oxazepane?
The canonical SMILES for 2-cyclohexyl-1,4-oxazepane is C1CCC(C2CNCCCO2)CC1.
What is the InChIKey of 2-cyclohexyl-1,4-oxazepane?
The InChIKey is HAARUDSVNMVQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h10-12H,1-9H2.
What are the key properties of 2-cyclohexyl-1,4-oxazepane?
2-cyclohexyl-1,4-oxazepane has a molecular weight of 183.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,4-oxazepane is sourced from PubChem (CID 82601829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).