5-(2-methylpropyl)-1,4-oxazepane

C9H19NO — CID 129066958

IUPAC5-(2-methylpropyl)-1,4-oxazepane
SMILESCC(C)CC1CCOCCN1
InChIInChI=1S/C9H19NO/c1-8(2)7-9-3-5-11-6-4-10-9/h8-10H,3-7H2,1-2H3
InChIKeyQCSHXTSDGXXHQN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds2

About 5-(2-methylpropyl)-1,4-oxazepane

5-(2-methylpropyl)-1,4-oxazepane (PubChem CID 129066958) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1,4-oxazepane.

Molecular Properties

Compound Name5-(2-methylpropyl)-1,4-oxazepane
PubChem CID129066958
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(2-methylpropyl)-1,4-oxazepane
SMILESCC(C)CC1CCOCCN1
InChIInChI=1S/C9H19NO/c1-8(2)7-9-3-5-11-6-4-10-9/h8-10H,3-7H2,1-2H3
InChIKeyQCSHXTSDGXXHQN-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 5-(2-methylpropyl)-1,4-oxazepane?
The IUPAC name of 5-(2-methylpropyl)-1,4-oxazepane (CID 129066958) is 5-(2-methylpropyl)-1,4-oxazepane.
What is the SMILES notation for 5-(2-methylpropyl)-1,4-oxazepane?
The canonical SMILES for 5-(2-methylpropyl)-1,4-oxazepane is CC(C)CC1CCOCCN1.
What is the InChIKey of 5-(2-methylpropyl)-1,4-oxazepane?
The InChIKey is QCSHXTSDGXXHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)7-9-3-5-11-6-4-10-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-1,4-oxazepane?
5-(2-methylpropyl)-1,4-oxazepane has a molecular weight of 157.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1,4-oxazepane is sourced from PubChem (CID 129066958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).