2,2-dimethyl-5-propan-2-yl-1,4-oxazepane

C10H21NO — CID 106352772

IUPAC2,2-dimethyl-5-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CCOC(C)(C)CN1
InChIInChI=1S/C10H21NO/c1-8(2)9-5-6-12-10(3,4)7-11-9/h8-9,11H,5-7H2,1-4H3
InChIKeySJJAGNZNSGBTGX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds1

About 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane

2,2-dimethyl-5-propan-2-yl-1,4-oxazepane (PubChem CID 106352772) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name2,2-dimethyl-5-propan-2-yl-1,4-oxazepane
PubChem CID106352772
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethyl-5-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1CCOC(C)(C)CN1
InChIInChI=1S/C10H21NO/c1-8(2)9-5-6-12-10(3,4)7-11-9/h8-9,11H,5-7H2,1-4H3
InChIKeySJJAGNZNSGBTGX-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane?
The IUPAC name of 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane (CID 106352772) is 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane?
The canonical SMILES for 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane is CC(C)C1CCOC(C)(C)CN1.
What is the InChIKey of 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane?
The InChIKey is SJJAGNZNSGBTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)9-5-6-12-10(3,4)7-11-9/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane?
2,2-dimethyl-5-propan-2-yl-1,4-oxazepane has a molecular weight of 171.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 106352772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).