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

C11H20N4O — CID 79960314

IUPAC4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCCN1CCCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C11H20N4O/c1-3-15-7-4-5-11(6-8-15)9(12)13-10(16)14(11)2/h3-8H2,1-2H3,(H2,12,13,16)
InChIKeyMVVLASOTGWDQCV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds1

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

4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (PubChem CID 79960314) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
PubChem CID79960314
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCCN1CCCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C11H20N4O/c1-3-15-7-4-5-11(6-8-15)9(12)13-10(16)14(11)2/h3-8H2,1-2H3,(H2,12,13,16)
InChIKeyMVVLASOTGWDQCV-UHFFFAOYSA-N
XLogP0.65
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (CID 79960314) is 4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is CCN1CCCC2(CC1)C(N)=NC(=O)N2C.
What is the InChIKey of 4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The InChIKey is MVVLASOTGWDQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-7-4-5-11(6-8-15)9(12)13-10(16)14(11)2/h3-8H2,1-2H3,(H2,12,13,16).
What are the key properties of 4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
4-amino-9-ethyl-1-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.65, 1 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-methyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79960314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).