4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one

C14H26N4O — CID 79960091

IUPAC4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCCN1CCCC2(CC1)C(N)=NC(=O)N2CC(C)C
InChIInChI=1S/C14H26N4O/c1-4-17-8-5-6-14(7-9-17)12(15)16-13(19)18(14)10-11(2)3/h11H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyXKZQIBHOZLXKBC-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.68
Rot. Bonds3

About 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one

4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one (PubChem CID 79960091) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one
PubChem CID79960091
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCCN1CCCC2(CC1)C(N)=NC(=O)N2CC(C)C
InChIInChI=1S/C14H26N4O/c1-4-17-8-5-6-14(7-9-17)12(15)16-13(19)18(14)10-11(2)3/h11H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyXKZQIBHOZLXKBC-UHFFFAOYSA-N
XLogP1.68
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[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

Frequently Asked Questions

What is the IUPAC name of 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one (CID 79960091) is 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one is CCN1CCCC2(CC1)C(N)=NC(=O)N2CC(C)C.
What is the InChIKey of 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The InChIKey is XKZQIBHOZLXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-17-8-5-6-14(7-9-17)12(15)16-13(19)18(14)10-11(2)3/h11H,4-10H2,1-3H3,(H2,15,16,19).
What are the key properties of 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one has a molecular weight of 266.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-ethyl-1-(2-methylpropyl)-1,3,9-triazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79960091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).