N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine

C6H15N3O2 — CID 153278834

IUPACN-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(/N=N/OO)C(C)C
InChIInChI=1S/C6H15N3O2/c1-4-5-9(6(2)3)7-8-11-10/h6,10H,4-5H2,1-3H3/b8-7+
InChIKeyXPSUXTMCIJXVOU-BQYQJAHWSA-N
MW161.20 g/mol
LogP1.88
Rot. Bonds5

About N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine

N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine (PubChem CID 153278834) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine
PubChem CID153278834
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC NameN-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(/N=N/OO)C(C)C
InChIInChI=1S/C6H15N3O2/c1-4-5-9(6(2)3)7-8-11-10/h6,10H,4-5H2,1-3H3/b8-7+
InChIKeyXPSUXTMCIJXVOU-BQYQJAHWSA-N
XLogP1.88
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(dimethylamino)methyl]-2-N-[(E)-hydroperoxydiazenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 18730596
2-ethoxy-N-propan-2-yl-N-propylacetamide
CID 64590968
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
2-(2-aminoethoxy)-N-propan-2-yl-N-propylacetamide
CID 79479983
N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide
CID 76915771
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
N-propan-2-yl-N-[[propan-2-yl(propyl)amino]silylmethylsilyl]propan-1-amine
CID 123834239
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine
CID 134179329
N-[[[(dipropylamino)-di(propan-2-yl)silyl]-propylamino]-di(propan-2-yl)silyl]-N-propylpropan-1-amine
CID 156755962
3-(dipropylamino)-N'-hydroxybutanimidamide
CID 76883738
N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine
CID 130411545

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine (CID 153278834) is N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine is CCCN(/N=N/OO)C(C)C.
What is the InChIKey of N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is XPSUXTMCIJXVOU-BQYQJAHWSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-4-5-9(6(2)3)7-8-11-10/h6,10H,4-5H2,1-3H3/b8-7+.
What are the key properties of N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine?
N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 161.20 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hydroperoxydiazenyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 153278834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).