2-methyl-2-propan-2-yl-1,4-oxazepane

C9H19NO — CID 114494521

IUPAC2-methyl-2-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1(C)CNCCCO1
InChIInChI=1S/C9H19NO/c1-8(2)9(3)7-10-5-4-6-11-9/h8,10H,4-7H2,1-3H3
InChIKeyAQWFRJUXXFUWEC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds1

About 2-methyl-2-propan-2-yl-1,4-oxazepane

2-methyl-2-propan-2-yl-1,4-oxazepane (PubChem CID 114494521) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-1,4-oxazepane
PubChem CID114494521
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-2-propan-2-yl-1,4-oxazepane
SMILESCC(C)C1(C)CNCCCO1
InChIInChI=1S/C9H19NO/c1-8(2)9(3)7-10-5-4-6-11-9/h8,10H,4-7H2,1-3H3
InChIKeyAQWFRJUXXFUWEC-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-1,4-oxazepane?
The IUPAC name of 2-methyl-2-propan-2-yl-1,4-oxazepane (CID 114494521) is 2-methyl-2-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for 2-methyl-2-propan-2-yl-1,4-oxazepane?
The canonical SMILES for 2-methyl-2-propan-2-yl-1,4-oxazepane is CC(C)C1(C)CNCCCO1.
What is the InChIKey of 2-methyl-2-propan-2-yl-1,4-oxazepane?
The InChIKey is AQWFRJUXXFUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)9(3)7-10-5-4-6-11-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-yl-1,4-oxazepane?
2-methyl-2-propan-2-yl-1,4-oxazepane has a molecular weight of 157.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 114494521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).