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

3,3,6,6-tetramethyloctanedihydrazide
CID 123887942
3-ethyl-3,5,5-trimethylheptanedihydrazide
CID 118550299
3,3,3-trichloropropanehydrazide
CID 134894748
3-hydroxy-3-methylhexanehydrazide
CID 59409443
3-amino-2,2-dimethylpropanehydrazide
CID 115426740
3-(hydrazinecarbonyl)-5-hydrazinyl-3-hydroxy-N-methyl-5-oxopentanamide
CID 122496103
3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
CID 2777210
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
propanehydrazide;dihydrochloride
CID 121342206
ethane;propanehydrazide
CID 143310399
4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 112672362
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929

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).