6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

C14H24N2O — CID 83255509

IUPAC6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C1CCCCC1)N1CNC2(CC2)C1=O
InChIInChI=1S/C14H24N2O/c1-2-12(11-6-4-3-5-7-11)16-10-15-14(8-9-14)13(16)17/h11-12,15H,2-10H2,1H3
InChIKeyMOSRGWZCGUPPOV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.27
Rot. Bonds3

About 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83255509) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83255509
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C1CCCCC1)N1CNC2(CC2)C1=O
InChIInChI=1S/C14H24N2O/c1-2-12(11-6-4-3-5-7-11)16-10-15-14(8-9-14)13(16)17/h11-12,15H,2-10H2,1H3
InChIKeyMOSRGWZCGUPPOV-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83255509) is 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CCC(C1CCCCC1)N1CNC2(CC2)C1=O.
What is the InChIKey of 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is MOSRGWZCGUPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-12(11-6-4-3-5-7-11)16-10-15-14(8-9-14)13(16)17/h11-12,15H,2-10H2,1H3.
What are the key properties of 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 236.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83255509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).