N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide

C7H16N4 — CID 139394904

IUPACN'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide
SMILESC/C(N)=N/N/N=C(\C)C(C)C
InChIInChI=1S/C7H16N4/c1-5(2)6(3)9-11-10-7(4)8/h5,11H,1-4H3,(H2,8,10)/b9-6+
InChIKeyCISZDEOYIPBXGD-RMKNXTFCSA-N
MW156.23 g/mol
LogP0.90
Rot. Bonds3

About N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide

N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide (PubChem CID 139394904) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide
PubChem CID139394904
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC NameN'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide
SMILESC/C(N)=N/N/N=C(\C)C(C)C
InChIInChI=1S/C7H16N4/c1-5(2)6(3)9-11-10-7(4)8/h5,11H,1-4H3,(H2,8,10)/b9-6+
InChIKeyCISZDEOYIPBXGD-RMKNXTFCSA-N
XLogP0.90
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide?
The IUPAC name of N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide (CID 139394904) is N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide.
What is the SMILES notation for N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide?
The canonical SMILES for N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide is C/C(N)=N/N/N=C(\C)C(C)C.
What is the InChIKey of N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide?
The InChIKey is CISZDEOYIPBXGD-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H16N4/c1-5(2)6(3)9-11-10-7(4)8/h5,11H,1-4H3,(H2,8,10)/b9-6+.
What are the key properties of N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide?
N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]ethanimidamide is sourced from PubChem (CID 139394904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).