5-[[amino-(hydroxyamino)methylidene]amino]pentanamide

C6H14N4O2 — CID 106241334

IUPAC5-[[amino-(hydroxyamino)methylidene]amino]pentanamide
SMILESNC(=O)CCCC/N=C(\N)NO
InChIInChI=1S/C6H14N4O2/c7-5(11)3-1-2-4-9-6(8)10-12/h12H,1-4H2,(H2,7,11)(H3,8,9,10)
InChIKeyPJROHAIFBFFJOQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.06
Rot. Bonds5

About 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide

5-[[amino-(hydroxyamino)methylidene]amino]pentanamide (PubChem CID 106241334) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide.

Molecular Properties

Compound Name5-[[amino-(hydroxyamino)methylidene]amino]pentanamide
PubChem CID106241334
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name5-[[amino-(hydroxyamino)methylidene]amino]pentanamide
SMILESNC(=O)CCCC/N=C(\N)NO
InChIInChI=1S/C6H14N4O2/c7-5(11)3-1-2-4-9-6(8)10-12/h12H,1-4H2,(H2,7,11)(H3,8,9,10)
InChIKeyPJROHAIFBFFJOQ-UHFFFAOYSA-N
XLogP-1.06
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

3-[[amino-(hydroxyamino)methylidene]amino]propylazanium
CID 5287648
2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide
CID 106241335
4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745
6-[[N'-[6-(diaminomethylideneamino)hexyl]carbamimidoyl]amino]heptanamide
CID 170367414
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
10-nitrosodecanamide
CID 146175538
hexanediamide;hydrazine
CID 160978463
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
docosanediamide;hexacosanediamide
CID 129179979
hexanediamide;hydrazine
CID 160854105

Frequently Asked Questions

What is the IUPAC name of 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide?
The IUPAC name of 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide (CID 106241334) is 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide.
What is the SMILES notation for 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide?
The canonical SMILES for 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide is NC(=O)CCCC/N=C(\N)NO.
What is the InChIKey of 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide?
The InChIKey is PJROHAIFBFFJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c7-5(11)3-1-2-4-9-6(8)10-12/h12H,1-4H2,(H2,7,11)(H3,8,9,10).
What are the key properties of 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide?
5-[[amino-(hydroxyamino)methylidene]amino]pentanamide has a molecular weight of 174.20 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[amino-(hydroxyamino)methylidene]amino]pentanamide is sourced from PubChem (CID 106241334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).