6-(2,2-dimethylpropyl)-1,4-oxazepane

C10H21NO — CID 142532026

IUPAC6-(2,2-dimethylpropyl)-1,4-oxazepane
SMILESCC(C)(C)CC1CNCCOC1
InChIInChI=1S/C10H21NO/c1-10(2,3)6-9-7-11-4-5-12-8-9/h9,11H,4-8H2,1-3H3
InChIKeyAFHGQCPLYIPBEN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-1,4-oxazepane

6-(2,2-dimethylpropyl)-1,4-oxazepane (PubChem CID 142532026) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1,4-oxazepane.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1,4-oxazepane
PubChem CID142532026
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-(2,2-dimethylpropyl)-1,4-oxazepane
SMILESCC(C)(C)CC1CNCCOC1
InChIInChI=1S/C10H21NO/c1-10(2,3)6-9-7-11-4-5-12-8-9/h9,11H,4-8H2,1-3H3
InChIKeyAFHGQCPLYIPBEN-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-1,4-oxazepane?
The IUPAC name of 6-(2,2-dimethylpropyl)-1,4-oxazepane (CID 142532026) is 6-(2,2-dimethylpropyl)-1,4-oxazepane.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1,4-oxazepane?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1,4-oxazepane is CC(C)(C)CC1CNCCOC1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1,4-oxazepane?
The InChIKey is AFHGQCPLYIPBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)6-9-7-11-4-5-12-8-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1,4-oxazepane?
6-(2,2-dimethylpropyl)-1,4-oxazepane has a molecular weight of 171.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1,4-oxazepane is sourced from PubChem (CID 142532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).