(Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide

C12H22N2 — CID 90778157

IUPAC(Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide
SMILESC=C(C)C(C)C/N=C(N)/C(=C\C)CC
InChIInChI=1S/C12H22N2/c1-6-11(7-2)12(13)14-8-10(5)9(3)4/h6,10H,3,7-8H2,1-2,4-5H3,(H2,13,14)/b11-6-
InChIKeyCJPDPKBTUXQKQY-WDZFZDKYSA-N
MW194.32 g/mol
LogP2.91
Rot. Bonds5

About (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide

(Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide (PubChem CID 90778157) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide
PubChem CID90778157
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide
SMILESC=C(C)C(C)C/N=C(N)/C(=C\C)CC
InChIInChI=1S/C12H22N2/c1-6-11(7-2)12(13)14-8-10(5)9(3)4/h6,10H,3,7-8H2,1-2,4-5H3,(H2,13,14)/b11-6-
InChIKeyCJPDPKBTUXQKQY-WDZFZDKYSA-N
XLogP2.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide 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 (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide?
The IUPAC name of (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide (CID 90778157) is (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide.
What is the SMILES notation for (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide?
The canonical SMILES for (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide is C=C(C)C(C)C/N=C(N)/C(=C\C)CC.
What is the InChIKey of (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide?
The InChIKey is CJPDPKBTUXQKQY-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-11(7-2)12(13)14-8-10(5)9(3)4/h6,10H,3,7-8H2,1-2,4-5H3,(H2,13,14)/b11-6-.
What are the key properties of (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide?
(Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide has a molecular weight of 194.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2,3-dimethylbut-3-enyl)-2-ethylbut-2-enimidamide is sourced from PubChem (CID 90778157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).