2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C14H26N4O — CID 82998441

IUPAC2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCN1CCC2(CC1)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C14H26N4O/c1-5-8-18-9-6-14(7-10-18)11(19)15-12(17-14)16-13(2,3)4/h5-10H2,1-4H3,(H2,15,16,17,19)
InChIKeyBBOLOXAFHLZLKF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.10
Rot. Bonds2

About 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 82998441) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID82998441
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCN1CCC2(CC1)N=C(NC(C)(C)C)NC2=O
InChIInChI=1S/C14H26N4O/c1-5-8-18-9-6-14(7-10-18)11(19)15-12(17-14)16-13(2,3)4/h5-10H2,1-4H3,(H2,15,16,17,19)
InChIKeyBBOLOXAFHLZLKF-UHFFFAOYSA-N
XLogP1.10
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 82998441) is 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCN1CCC2(CC1)N=C(NC(C)(C)C)NC2=O.
What is the InChIKey of 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BBOLOXAFHLZLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-8-18-9-6-14(7-10-18)11(19)15-12(17-14)16-13(2,3)4/h5-10H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 266.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 82998441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).