hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane

C6H24N6O2P2 — CID 172987317

IUPAChydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane
SMILESCNC/C(N)=N/O.CNCC#N.NO.P.P
InChIInChI=1S/C3H9N3O.C3H6N2.H3NO.2H3P/c1-5-2-3(4)6-7;1-5-3-2-4;1-2;;/h5,7H,2H2,1H3,(H2,4,6);5H,3H2,1H3;2H,1H2;2*1H3
InChIKeyOPKBXDBEBRNRCN-UHFFFAOYSA-N
MW274.25 g/mol
LogP-1.87
Rot. Bonds3

About hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane

hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane (PubChem CID 172987317) has the molecular formula C6H24N6O2P2 and a molecular weight of 274.25 g/mol. Its IUPAC name is hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane.

Molecular Properties

Compound Namehydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane
PubChem CID172987317
Molecular FormulaC6H24N6O2P2
Molecular Weight274.25 g/mol
Exact Mass274.14
IUPAC Namehydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane
SMILESCNC/C(N)=N/O.CNCC#N.NO.P.P
InChIInChI=1S/C3H9N3O.C3H6N2.H3NO.2H3P/c1-5-2-3(4)6-7;1-5-3-2-4;1-2;;/h5,7H,2H2,1H3,(H2,4,6);5H,3H2,1H3;2H,1H2;2*1H3
InChIKeyOPKBXDBEBRNRCN-UHFFFAOYSA-N
XLogP-1.87
TPSA152.71 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.25
LogP ≤ 5-1.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane?
The IUPAC name of hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane (CID 172987317) is hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane.
What is the SMILES notation for hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane?
The canonical SMILES for hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane is CNC/C(N)=N/O.CNCC#N.NO.P.P.
What is the InChIKey of hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane?
The InChIKey is OPKBXDBEBRNRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O.C3H6N2.H3NO.2H3P/c1-5-2-3(4)6-7;1-5-3-2-4;1-2;;/h5,7H,2H2,1H3,(H2,4,6);5H,3H2,1H3;2H,1H2;2*1H3.
What are the key properties of hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane?
hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane has a molecular weight of 274.25 g/mol, XLogP of -1.87, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;N'-hydroxy-2-(methylamino)ethanimidamide;2-(methylamino)acetonitrile;phosphane is sourced from PubChem (CID 172987317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).