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

C10H18N4O — CID 79959906

IUPAC4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCN1CCCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C10H18N4O/c1-13-6-3-4-10(5-7-13)8(11)12-9(15)14(10)2/h3-7H2,1-2H3,(H2,11,12,15)
InChIKeyAGOQFRUCRDQQIV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.26
Rot. Bonds

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

4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (PubChem CID 79959906) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
PubChem CID79959906
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCN1CCCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C10H18N4O/c1-13-6-3-4-10(5-7-13)8(11)12-9(15)14(10)2/h3-7H2,1-2H3,(H2,11,12,15)
InChIKeyAGOQFRUCRDQQIV-UHFFFAOYSA-N
XLogP0.26
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (CID 79959906) is 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is CN1CCCC2(CC1)C(N)=NC(=O)N2C.
What is the InChIKey of 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The InChIKey is AGOQFRUCRDQQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-6-3-4-10(5-7-13)8(11)12-9(15)14(10)2/h3-7H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,9-dimethyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79959906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).