4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine

C9H17N5O — CID 176537739

IUPAC4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine
SMILESCN(C)C1=NC2(CCOCC2)NC(N)=N1
InChIInChI=1S/C9H17N5O/c1-14(2)8-11-7(10)12-9(13-8)3-5-15-6-4-9/h3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyJNXZLIAVZHITHK-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.67
Rot. Bonds

About 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine

4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine (PubChem CID 176537739) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine
PubChem CID176537739
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine
SMILESCN(C)C1=NC2(CCOCC2)NC(N)=N1
InChIInChI=1S/C9H17N5O/c1-14(2)8-11-7(10)12-9(13-8)3-5-15-6-4-9/h3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyJNXZLIAVZHITHK-UHFFFAOYSA-N
XLogP-0.67
TPSA75.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine (CID 176537739) is 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine is CN(C)C1=NC2(CCOCC2)NC(N)=N1.
What is the InChIKey of 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine?
The InChIKey is JNXZLIAVZHITHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14(2)8-11-7(10)12-9(13-8)3-5-15-6-4-9/h3-6H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine?
4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-9-oxa-1,3,5-triazaspiro[5.5]undeca-2,4-diene-2,4-diamine is sourced from PubChem (CID 176537739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).