[5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine

C6H14N4O — CID 129138328

IUPAC[5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(C/N=N/N)O1
InChIInChI=1S/C6H14N4O/c7-3-5-1-2-6(11-5)4-9-10-8/h5-6H,1-4,7H2,(H2,8,9)
InChIKeyXYWKEUFVJHWQPB-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.18
Rot. Bonds3

About [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine

[5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine (PubChem CID 129138328) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine
PubChem CID129138328
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name[5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(C/N=N/N)O1
InChIInChI=1S/C6H14N4O/c7-3-5-1-2-6(11-5)4-9-10-8/h5-6H,1-4,7H2,(H2,8,9)
InChIKeyXYWKEUFVJHWQPB-UHFFFAOYSA-N
XLogP-0.18
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine (CID 129138328) is [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine is NCC1CCC(C/N=N/N)O1.
What is the InChIKey of [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine?
The InChIKey is XYWKEUFVJHWQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c7-3-5-1-2-6(11-5)4-9-10-8/h5-6H,1-4,7H2,(H2,8,9).
What are the key properties of [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine?
[5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine has a molecular weight of 158.20 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(aminodiazenyl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 129138328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).