N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide

C11H23N3 — CID 167019592

IUPACN-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide
SMILESC/C=C(C)\N=C(/C)N(N)CC(C)(C)C
InChIInChI=1S/C11H23N3/c1-7-9(2)13-10(3)14(12)8-11(4,5)6/h7H,8,12H2,1-6H3/b9-7-,13-10+
InChIKeyQLUYHJDPONQXJS-FPXYGIGQSA-N
MW197.33 g/mol
LogP2.55
Rot. Bonds2

About N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide

N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide (PubChem CID 167019592) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide.

Molecular Properties

Compound NameN-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide
PubChem CID167019592
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide
SMILESC/C=C(C)\N=C(/C)N(N)CC(C)(C)C
InChIInChI=1S/C11H23N3/c1-7-9(2)13-10(3)14(12)8-11(4,5)6/h7H,8,12H2,1-6H3/b9-7-,13-10+
InChIKeyQLUYHJDPONQXJS-FPXYGIGQSA-N
XLogP2.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide 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-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide?
The IUPAC name of N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide (CID 167019592) is N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide.
What is the SMILES notation for N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide?
The canonical SMILES for N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide is C/C=C(C)\N=C(/C)N(N)CC(C)(C)C.
What is the InChIKey of N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide?
The InChIKey is QLUYHJDPONQXJS-FPXYGIGQSA-N. The full InChI is InChI=1S/C11H23N3/c1-7-9(2)13-10(3)14(12)8-11(4,5)6/h7H,8,12H2,1-6H3/b9-7-,13-10+.
What are the key properties of N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide?
N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide has a molecular weight of 197.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-[(Z)-but-2-en-2-yl]-N-(2,2-dimethylpropyl)ethanimidamide is sourced from PubChem (CID 167019592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).