2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane

C11H23NO — CID 176594257

IUPAC2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane
SMILESCC1CN(C(C)C)CC(C)C(C)O1
InChIInChI=1S/C11H23NO/c1-8(2)12-6-9(3)11(5)13-10(4)7-12/h8-11H,6-7H2,1-5H3
InChIKeyIFDATEVQXZPKNZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds1

About 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane

2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane (PubChem CID 176594257) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane
PubChem CID176594257
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane
SMILESCC1CN(C(C)C)CC(C)C(C)O1
InChIInChI=1S/C11H23NO/c1-8(2)12-6-9(3)11(5)13-10(4)7-12/h8-11H,6-7H2,1-5H3
InChIKeyIFDATEVQXZPKNZ-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R,6S)-2-methyl-6-(1-methylpyrazol-4-yl)-4-propan-2-ylmorpholine
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(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane?
The IUPAC name of 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane (CID 176594257) is 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane?
The canonical SMILES for 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane is CC1CN(C(C)C)CC(C)C(C)O1.
What is the InChIKey of 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane?
The InChIKey is IFDATEVQXZPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)12-6-9(3)11(5)13-10(4)7-12/h8-11H,6-7H2,1-5H3.
What are the key properties of 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane?
2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane has a molecular weight of 185.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 176594257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).