N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide

C12H20N2 — CID 138461930

IUPACN'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide
SMILESC=C/N=C(\N)C(=C(C)C)C(C)=C(C)C
InChIInChI=1S/C12H20N2/c1-7-14-12(13)11(9(4)5)10(6)8(2)3/h7H,1H2,2-6H3,(H2,13,14)
InChIKeyGZSJBKOQFGTYCU-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.18
Rot. Bonds3

About N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide

N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide (PubChem CID 138461930) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide.

Molecular Properties

Compound NameN'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide
PubChem CID138461930
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide
SMILESC=C/N=C(\N)C(=C(C)C)C(C)=C(C)C
InChIInChI=1S/C12H20N2/c1-7-14-12(13)11(9(4)5)10(6)8(2)3/h7H,1H2,2-6H3,(H2,13,14)
InChIKeyGZSJBKOQFGTYCU-UHFFFAOYSA-N
XLogP3.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.18
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': 'polyene', 'substructure': 'N/A'}

Analyze N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-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 N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide?
The IUPAC name of N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide (CID 138461930) is N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide.
What is the SMILES notation for N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide?
The canonical SMILES for N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide is C=C/N=C(\N)C(=C(C)C)C(C)=C(C)C.
What is the InChIKey of N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide?
The InChIKey is GZSJBKOQFGTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-7-14-12(13)11(9(4)5)10(6)8(2)3/h7H,1H2,2-6H3,(H2,13,14).
What are the key properties of N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide?
N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide has a molecular weight of 192.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-3,4-dimethyl-2-propan-2-ylidenepent-3-enimidamide is sourced from PubChem (CID 138461930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).