2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine

C8H21N5O2 — CID 18730596

IUPAC2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)N(CN(C)C)/N=N/OO
InChIInChI=1S/C8H21N5O2/c1-8(6-11(2)3)13(7-12(4)5)9-10-15-14/h8,14H,6-7H2,1-5H3/b10-9+
InChIKeyUQYDRFOILSVZRD-MDZDMXLPSA-N
MW219.29 g/mol
LogP0.53
Rot. Bonds7

About 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 18730596) has the molecular formula C8H21N5O2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID18730596
Molecular FormulaC8H21N5O2
Molecular Weight219.29 g/mol
Exact Mass219.17
IUPAC Name2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)N(CN(C)C)/N=N/OO
InChIInChI=1S/C8H21N5O2/c1-8(6-11(2)3)13(7-12(4)5)9-10-15-14/h8,14H,6-7H2,1-5H3/b10-9+
InChIKeyUQYDRFOILSVZRD-MDZDMXLPSA-N
XLogP0.53
TPSA63.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 18730596) is 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)N(CN(C)C)/N=N/OO.
What is the InChIKey of 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is UQYDRFOILSVZRD-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H21N5O2/c1-8(6-11(2)3)13(7-12(4)5)9-10-15-14/h8,14H,6-7H2,1-5H3/b10-9+.
What are the key properties of 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 219.29 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 18730596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).