2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide

C8H14N4O2 — CID 137121555

IUPAC2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide
SMILESCCC(CC)ON=C(C#N)C(N)=NO
InChIInChI=1S/C8H14N4O2/c1-3-6(4-2)14-12-7(5-9)8(10)11-13/h6,13H,3-4H2,1-2H3,(H2,10,11)
InChIKeyYDAMZCGKZZMQQF-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.82
Rot. Bonds5

About 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide

2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide (PubChem CID 137121555) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide.

Molecular Properties

Compound Name2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide
PubChem CID137121555
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide
SMILESCCC(CC)ON=C(C#N)C(N)=NO
InChIInChI=1S/C8H14N4O2/c1-3-6(4-2)14-12-7(5-9)8(10)11-13/h6,13H,3-4H2,1-2H3,(H2,10,11)
InChIKeyYDAMZCGKZZMQQF-UHFFFAOYSA-N
XLogP0.82
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z,2E)-2-amino-N-butan-2-yloxy-2-hydroxyiminoethanimidoyl cyanide
CID 137121570
2-amino-2-hydroxyimino-N-(2-methylbutoxy)ethanimidoyl cyanide
CID 137121543
2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide
CID 71438651
(1E,2Z)-2-amino-2-hydroxyimino-N-(4-methylphenyl)sulfanyloxyethanimidoyl cyanide;methanethiol
CID 162357816
ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate
CID 73357406
2-amino-N'-hydroxybutanimidamide
CID 14024494
[(E)-(2-amino-1-cyano-2-oxoethylidene)amino] 2-methylpropyl carbonate
CID 88659258
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
(2E)-2-ethylidene-3-hydroxypentanenitrile
CID 12522368
acetonitrile;N'-hydroxybutanimidamide
CID 159901217
3-amino-4-ethyl-2-methylhex-2-enenitrile
CID 57358235
3-amino-3-hydroxyimino-2-propan-2-yloxyiminopropanamide
CID 137231110

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide?
The IUPAC name of 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide (CID 137121555) is 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide.
What is the SMILES notation for 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide?
The canonical SMILES for 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide is CCC(CC)ON=C(C#N)C(N)=NO.
What is the InChIKey of 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide?
The InChIKey is YDAMZCGKZZMQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-6(4-2)14-12-7(5-9)8(10)11-13/h6,13H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide?
2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide has a molecular weight of 198.23 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxyimino-N-pentan-3-yloxyethanimidoyl cyanide is sourced from PubChem (CID 137121555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).