3-propan-2-yl-2-azaspiro[5.5]undec-1-ene

C13H23N — CID 10607827

IUPAC3-propan-2-yl-2-azaspiro[5.5]undec-1-ene
SMILESCC(C)C1CCC2(C=N1)CCCCC2
InChIInChI=1S/C13H23N/c1-11(2)12-6-9-13(10-14-12)7-4-3-5-8-13/h10-12H,3-9H2,1-2H3
InChIKeyPXPLNSOLOISXFB-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.83
Rot. Bonds1

About 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene

3-propan-2-yl-2-azaspiro[5.5]undec-1-ene (PubChem CID 10607827) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene.

Molecular Properties

Compound Name3-propan-2-yl-2-azaspiro[5.5]undec-1-ene
PubChem CID10607827
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-propan-2-yl-2-azaspiro[5.5]undec-1-ene
SMILESCC(C)C1CCC2(C=N1)CCCCC2
InChIInChI=1S/C13H23N/c1-11(2)12-6-9-13(10-14-12)7-4-3-5-8-13/h10-12H,3-9H2,1-2H3
InChIKeyPXPLNSOLOISXFB-UHFFFAOYSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene?
The IUPAC name of 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene (CID 10607827) is 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene.
What is the SMILES notation for 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene?
The canonical SMILES for 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene is CC(C)C1CCC2(C=N1)CCCCC2.
What is the InChIKey of 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene?
The InChIKey is PXPLNSOLOISXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11(2)12-6-9-13(10-14-12)7-4-3-5-8-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene?
3-propan-2-yl-2-azaspiro[5.5]undec-1-ene has a molecular weight of 193.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-azaspiro[5.5]undec-1-ene is sourced from PubChem (CID 10607827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).