5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane

C14H26N2O — CID 178173208

IUPAC5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(CCCN2C2CCOCC2)C1
InChIInChI=1S/C14H26N2O/c1-12(2)15-10-14(11-15)6-3-7-16(14)13-4-8-17-9-5-13/h12-13H,3-11H2,1-2H3
InChIKeyDEZFMHYPLNRVDC-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.72
Rot. Bonds2

About 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane

5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane (PubChem CID 178173208) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane.

Molecular Properties

Compound Name5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane
PubChem CID178173208
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(CCCN2C2CCOCC2)C1
InChIInChI=1S/C14H26N2O/c1-12(2)15-10-14(11-15)6-3-7-16(14)13-4-8-17-9-5-13/h12-13H,3-11H2,1-2H3
InChIKeyDEZFMHYPLNRVDC-UHFFFAOYSA-N
XLogP1.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane?
The IUPAC name of 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane (CID 178173208) is 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane.
What is the SMILES notation for 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane?
The canonical SMILES for 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane is CC(C)N1CC2(CCCN2C2CCOCC2)C1.
What is the InChIKey of 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane?
The InChIKey is DEZFMHYPLNRVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)15-10-14(11-15)6-3-7-16(14)13-4-8-17-9-5-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane?
5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane has a molecular weight of 238.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane is sourced from PubChem (CID 178173208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).