N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide

C6H14N4O — CID 172989590

IUPACN'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide
SMILESC=NN/N=C(\N)COC(C)C
InChIInChI=1S/C6H14N4O/c1-5(2)11-4-6(7)9-10-8-3/h5,10H,3-4H2,1-2H3,(H2,7,9)
InChIKeyCNPWWTKZJUHVTE-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.11
Rot. Bonds5

About N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide

N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide (PubChem CID 172989590) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide.

Molecular Properties

Compound NameN'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide
PubChem CID172989590
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC NameN'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide
SMILESC=NN/N=C(\N)COC(C)C
InChIInChI=1S/C6H14N4O/c1-5(2)11-4-6(7)9-10-8-3/h5,10H,3-4H2,1-2H3,(H2,7,9)
InChIKeyCNPWWTKZJUHVTE-UHFFFAOYSA-N
XLogP-0.11
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide?
The IUPAC name of N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide (CID 172989590) is N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide.
What is the SMILES notation for N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide?
The canonical SMILES for N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide is C=NN/N=C(\N)COC(C)C.
What is the InChIKey of N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide?
The InChIKey is CNPWWTKZJUHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-5(2)11-4-6(7)9-10-8-3/h5,10H,3-4H2,1-2H3,(H2,7,9).
What are the key properties of N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide?
N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide has a molecular weight of 158.20 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylidenehydrazinyl)-2-propan-2-yloxyethanimidamide is sourced from PubChem (CID 172989590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).