2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one

C15H26N4O2 — CID 170592137

IUPAC2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCCN(C(=O)CNC)C2)C(=O)N1C
InChIInChI=1S/C15H26N4O2/c1-4-5-7-12-17-15(14(21)18(12)3)8-6-9-19(11-15)13(20)10-16-2/h16H,4-11H2,1-3H3
InChIKeyYRAYBPWJOWVHRF-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.63
Rot. Bonds5

About 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one

2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592137) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one
PubChem CID170592137
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCCN(C(=O)CNC)C2)C(=O)N1C
InChIInChI=1S/C15H26N4O2/c1-4-5-7-12-17-15(14(21)18(12)3)8-6-9-19(11-15)13(20)10-16-2/h16H,4-11H2,1-3H3
InChIKeyYRAYBPWJOWVHRF-UHFFFAOYSA-N
XLogP0.63
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one (CID 170592137) is 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCCN(C(=O)CNC)C2)C(=O)N1C.
What is the InChIKey of 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is YRAYBPWJOWVHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-5-7-12-17-15(14(21)18(12)3)8-6-9-19(11-15)13(20)10-16-2/h16H,4-11H2,1-3H3.
What are the key properties of 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 294.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-9-[2-(methylamino)acetyl]-1,3,9-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).