2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane

C15H29N3O — CID 170592210

IUPAC2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
SMILESCC.CCCCC1=NC2(CCNCC2)C(=O)N1CC
InChIInChI=1S/C13H23N3O.C2H6/c1-3-5-6-11-15-13(7-9-14-10-8-13)12(17)16(11)4-2;1-2/h14H,3-10H2,1-2H3;1-2H3
InChIKeyCPUDMEWVDNXVAF-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.59
Rot. Bonds4

About 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane

2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane (PubChem CID 170592210) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane.

Molecular Properties

Compound Name2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
PubChem CID170592210
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
SMILESCC.CCCCC1=NC2(CCNCC2)C(=O)N1CC
InChIInChI=1S/C13H23N3O.C2H6/c1-3-5-6-11-15-13(7-9-14-10-8-13)12(17)16(11)4-2;1-2/h14H,3-10H2,1-2H3;1-2H3
InChIKeyCPUDMEWVDNXVAF-UHFFFAOYSA-N
XLogP2.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylbutyl)-8-[(2-oxopyrrolidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991451
2-(3-Methylbutyl)-8-(4-oxopentanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46992235
Ethyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50950780
Methyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50954799
2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
2-(8-Amino-8,8-difluorooctyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66827424
2-(9,9,9-Trifluorononyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70829026
2-(8,8,8-Trifluorooctyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118667401
2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
2-Butyl-8-(2,2-difluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592433
2-Butyl-8-(3-fluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592472
2-Butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592509

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The IUPAC name of 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane (CID 170592210) is 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane.
What is the SMILES notation for 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The canonical SMILES for 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane is CC.CCCCC1=NC2(CCNCC2)C(=O)N1CC.
What is the InChIKey of 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
The InChIKey is CPUDMEWVDNXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.C2H6/c1-3-5-6-11-15-13(7-9-14-10-8-13)12(17)16(11)4-2;1-2/h14H,3-10H2,1-2H3;1-2H3.
What are the key properties of 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane?
2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane has a molecular weight of 267.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane is sourced from PubChem (CID 170592210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).