2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol

C13H25NO2 — CID 79564550

IUPAC2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol
SMILESCC1CN(CCC2CCCC2O)CCCO1
InChIInChI=1S/C13H25NO2/c1-11-10-14(7-3-9-16-11)8-6-12-4-2-5-13(12)15/h11-13,15H,2-10H2,1H3
InChIKeyPFPIHCPUAJRATB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol

2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol (PubChem CID 79564550) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol
PubChem CID79564550
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol
SMILESCC1CN(CCC2CCCC2O)CCCO1
InChIInChI=1S/C13H25NO2/c1-11-10-14(7-3-9-16-11)8-6-12-4-2-5-13(12)15/h11-13,15H,2-10H2,1H3
InChIKeyPFPIHCPUAJRATB-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol (CID 79564550) is 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol is CC1CN(CCC2CCCC2O)CCCO1.
What is the InChIKey of 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol?
The InChIKey is PFPIHCPUAJRATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-10-14(7-3-9-16-11)8-6-12-4-2-5-13(12)15/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol?
2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).