(2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane

C7H19N5O — CID 143329424

IUPAC(2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane
SMILESCC.[H]/N=C(N)/C(=N/ONC)C(C)N
InChIInChI=1S/C5H13N5O.C2H6/c1-3(6)4(5(7)8)10-11-9-2;1-2/h3,9H,6H2,1-2H3,(H3,7,8);1-2H3/b10-4+;
InChIKeyNHLQAKNNAVIVDZ-FCVRUTMISA-N
MW189.26 g/mol
LogP-0.20
Rot. Bonds4

About (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane

(2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane (PubChem CID 143329424) has the molecular formula C7H19N5O and a molecular weight of 189.26 g/mol. Its IUPAC name is (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane.

Molecular Properties

Compound Name(2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane
PubChem CID143329424
Molecular FormulaC7H19N5O
Molecular Weight189.26 g/mol
Exact Mass189.16
IUPAC Name(2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane
SMILESCC.[H]/N=C(N)/C(=N/ONC)C(C)N
InChIInChI=1S/C5H13N5O.C2H6/c1-3(6)4(5(7)8)10-11-9-2;1-2/h3,9H,6H2,1-2H3,(H3,7,8);1-2H3/b10-4+;
InChIKeyNHLQAKNNAVIVDZ-FCVRUTMISA-N
XLogP-0.20
TPSA109.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane?
The IUPAC name of (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane (CID 143329424) is (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane.
What is the SMILES notation for (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane?
The canonical SMILES for (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane is CC.[H]/N=C(N)/C(=N/ONC)C(C)N.
What is the InChIKey of (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane?
The InChIKey is NHLQAKNNAVIVDZ-FCVRUTMISA-N. The full InChI is InChI=1S/C5H13N5O.C2H6/c1-3(6)4(5(7)8)10-11-9-2;1-2/h3,9H,6H2,1-2H3,(H3,7,8);1-2H3/b10-4+;.
What are the key properties of (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane?
(2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane has a molecular weight of 189.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-amino-2-(methylaminooxyimino)butanimidamide;ethane is sourced from PubChem (CID 143329424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).