N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide

C6H15N5O — CID 10035076

IUPACN'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide
SMILESCC(C)(CC(=O)NN)/C(N)=N\N
InChIInChI=1S/C6H15N5O/c1-6(2,5(7)11-9)3-4(12)10-8/h3,8-9H2,1-2H3,(H2,7,11)(H,10,12)
InChIKeyPHEHMSNEEFUSPM-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.38
Rot. Bonds3

About N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide

N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide (PubChem CID 10035076) has the molecular formula C6H15N5O and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide.

Molecular Properties

Compound NameN'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide
PubChem CID10035076
Molecular FormulaC6H15N5O
Molecular Weight173.22 g/mol
Exact Mass173.13
IUPAC NameN'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide
SMILESCC(C)(CC(=O)NN)/C(N)=N\N
InChIInChI=1S/C6H15N5O/c1-6(2,5(7)11-9)3-4(12)10-8/h3,8-9H2,1-2H3,(H2,7,11)(H,10,12)
InChIKeyPHEHMSNEEFUSPM-UHFFFAOYSA-N
XLogP-1.38
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

CID 11252062
CID 11252062
CID 136219607
CID 136219607
CID 10080650
CID 10080650
CID 135438091
CID 135438091
CID 135453808
CID 135453808
CID 135523748
CID 135523748
CID 135600293
CID 135600293
CID 137198292
CID 137198292

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide?
The IUPAC name of N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide (CID 10035076) is N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide.
What is the SMILES notation for N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide?
The canonical SMILES for N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide is CC(C)(CC(=O)NN)/C(N)=N\N.
What is the InChIKey of N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide?
The InChIKey is PHEHMSNEEFUSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O/c1-6(2,5(7)11-9)3-4(12)10-8/h3,8-9H2,1-2H3,(H2,7,11)(H,10,12).
What are the key properties of N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide?
N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide has a molecular weight of 173.22 g/mol, XLogP of -1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide is sourced from PubChem (CID 10035076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).