2-(cyclohexylmethyl)-1,4-oxazepane

C12H23NO — CID 91091417

IUPAC2-(cyclohexylmethyl)-1,4-oxazepane
SMILESC1CCC(CC2CNCCCO2)CC1
InChIInChI=1S/C12H23NO/c1-2-5-11(6-3-1)9-12-10-13-7-4-8-14-12/h11-13H,1-10H2
InChIKeyYPJDXLWPKLAGMQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds2

About 2-(cyclohexylmethyl)-1,4-oxazepane

2-(cyclohexylmethyl)-1,4-oxazepane (PubChem CID 91091417) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1,4-oxazepane
PubChem CID91091417
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(cyclohexylmethyl)-1,4-oxazepane
SMILESC1CCC(CC2CNCCCO2)CC1
InChIInChI=1S/C12H23NO/c1-2-5-11(6-3-1)9-12-10-13-7-4-8-14-12/h11-13H,1-10H2
InChIKeyYPJDXLWPKLAGMQ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1,4-oxazepane?
The IUPAC name of 2-(cyclohexylmethyl)-1,4-oxazepane (CID 91091417) is 2-(cyclohexylmethyl)-1,4-oxazepane.
What is the SMILES notation for 2-(cyclohexylmethyl)-1,4-oxazepane?
The canonical SMILES for 2-(cyclohexylmethyl)-1,4-oxazepane is C1CCC(CC2CNCCCO2)CC1.
What is the InChIKey of 2-(cyclohexylmethyl)-1,4-oxazepane?
The InChIKey is YPJDXLWPKLAGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-5-11(6-3-1)9-12-10-13-7-4-8-14-12/h11-13H,1-10H2.
What are the key properties of 2-(cyclohexylmethyl)-1,4-oxazepane?
2-(cyclohexylmethyl)-1,4-oxazepane has a molecular weight of 197.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1,4-oxazepane is sourced from PubChem (CID 91091417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).