4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one

C15H23N3O — CID 114420905

IUPAC4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESC#CC(C)N1C(=O)N=C(N)C12CCCC(CC)CC2
InChIInChI=1S/C15H23N3O/c1-4-11(3)18-14(19)17-13(16)15(18)9-6-7-12(5-2)8-10-15/h1,11-12H,5-10H2,2-3H3,(H2,16,17,19)
InChIKeyCYLJDIXSRULWQA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds2

About 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one

4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 114420905) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID114420905
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESC#CC(C)N1C(=O)N=C(N)C12CCCC(CC)CC2
InChIInChI=1S/C15H23N3O/c1-4-11(3)18-14(19)17-13(16)15(18)9-6-7-12(5-2)8-10-15/h1,11-12H,5-10H2,2-3H3,(H2,16,17,19)
InChIKeyCYLJDIXSRULWQA-UHFFFAOYSA-N
XLogP2.53
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967294
4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967026
4-amino-1-but-3-yn-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420743
4-amino-1-but-3-yn-2-yl-5-(cyclobutylmethyl)-5-methylimidazol-2-one
CID 114420647
4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420644
4-amino-1,8-diethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961824
4-amino-1-but-3-yn-2-yl-N,N-dimethyl-2-oxo-1,3,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 114420842
4'-amino-1'-but-3-yn-2-ylspiro[1,3-dihydroindene-2,5'-imidazole]-2'-one
CID 114420730
4-amino-1-cyclopropyl-7-ethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961206
4-amino-7-(2-methylpropyl)-1-prop-2-ynyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 107430673
4-amino-1-but-3-yn-2-yl-6,6-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420729
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 114420905) is 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one is C#CC(C)N1C(=O)N=C(N)C12CCCC(CC)CC2.
What is the InChIKey of 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is CYLJDIXSRULWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-11(3)18-14(19)17-13(16)15(18)9-6-7-12(5-2)8-10-15/h1,11-12H,5-10H2,2-3H3,(H2,16,17,19).
What are the key properties of 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-but-3-yn-2-yl-8-ethyl-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 114420905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).