2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one

C13H25N3O — CID 42677384

IUPAC2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCCN1C(=O)C(C(C)C)NC12CCNCC2
InChIInChI=1S/C13H25N3O/c1-4-9-16-12(17)11(10(2)3)15-13(16)5-7-14-8-6-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyVDBAQEBZDRQPHR-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.93
Rot. Bonds3

About 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one

2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 42677384) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID42677384
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCCN1C(=O)C(C(C)C)NC12CCNCC2
InChIInChI=1S/C13H25N3O/c1-4-9-16-12(17)11(10(2)3)15-13(16)5-7-14-8-6-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyVDBAQEBZDRQPHR-UHFFFAOYSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 42677384) is 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one is CCCN1C(=O)C(C(C)C)NC12CCNCC2.
What is the InChIKey of 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is VDBAQEBZDRQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-9-16-12(17)11(10(2)3)15-13(16)5-7-14-8-6-13/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one?
2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 239.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 42677384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).