4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate

C15H28N2O2 — CID 175527270

IUPAC4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate
SMILESCCCCC(CCC)C(=O)OC1CC12CNCCN2
InChIInChI=1S/C15H28N2O2/c1-3-5-7-12(6-4-2)14(18)19-13-10-15(13)11-16-8-9-17-15/h12-13,16-17H,3-11H2,1-2H3
InChIKeyJFXFTFZAGPNBMT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.84
Rot. Bonds7

About 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate

4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate (PubChem CID 175527270) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate.

Molecular Properties

Compound Name4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate
PubChem CID175527270
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate
SMILESCCCCC(CCC)C(=O)OC1CC12CNCCN2
InChIInChI=1S/C15H28N2O2/c1-3-5-7-12(6-4-2)14(18)19-13-10-15(13)11-16-8-9-17-15/h12-13,16-17H,3-11H2,1-2H3
InChIKeyJFXFTFZAGPNBMT-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 2-hexyldecanoate
CID 174570245
cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
CID 70587590
2-hydroxyethyl 2-propylhexanoate
CID 58491956
2-propylhexanamide
CID 19818979
2-propylnonanoyl 2-propylnonanoate
CID 54359138
2-butylhexanoyloxy 2-butylhexaneperoxoate
CID 157198454
butyl 2-butylhexanoate;stannane
CID 172996715
(2-oxo-7-azaspiro[3.5]nonan-3-yl) 2-ethyloctanoate
CID 175376402
methyl 2-propyltetradecanoate
CID 174361538
2-propyldodecaneperoxoic acid
CID 23173793
2-[4-[2-(2-hexyldecanoyloxy)ethyl]piperidin-4-yl]ethyl 2-hexyldecanoate
CID 167523575
stannane;sulfanyl 2-butylhexanoate
CID 173108176

Frequently Asked Questions

What is the IUPAC name of 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate?
The IUPAC name of 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate (CID 175527270) is 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate.
What is the SMILES notation for 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate?
The canonical SMILES for 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate is CCCCC(CCC)C(=O)OC1CC12CNCCN2.
What is the InChIKey of 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate?
The InChIKey is JFXFTFZAGPNBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-5-7-12(6-4-2)14(18)19-13-10-15(13)11-16-8-9-17-15/h12-13,16-17H,3-11H2,1-2H3.
What are the key properties of 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate?
4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate has a molecular weight of 268.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diazaspiro[2.5]octan-2-yl 2-propylhexanoate is sourced from PubChem (CID 175527270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).