2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide

C11H20N2 — CID 91599033

IUPAC2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide
SMILESCCC(C)=C/N=C(\N)C(C)=C(C)C
InChIInChI=1S/C11H20N2/c1-6-9(4)7-13-11(12)10(5)8(2)3/h7H,6H2,1-5H3,(H2,12,13)
InChIKeyPWSVQOBRYQTVKU-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.01
Rot. Bonds3

About 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide

2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide (PubChem CID 91599033) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide.

Molecular Properties

Compound Name2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide
PubChem CID91599033
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide
SMILESCCC(C)=C/N=C(\N)C(C)=C(C)C
InChIInChI=1S/C11H20N2/c1-6-9(4)7-13-11(12)10(5)8(2)3/h7H,6H2,1-5H3,(H2,12,13)
InChIKeyPWSVQOBRYQTVKU-UHFFFAOYSA-N
XLogP3.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide?
The IUPAC name of 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide (CID 91599033) is 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide.
What is the SMILES notation for 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide?
The canonical SMILES for 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide is CCC(C)=C/N=C(\N)C(C)=C(C)C.
What is the InChIKey of 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide?
The InChIKey is PWSVQOBRYQTVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-9(4)7-13-11(12)10(5)8(2)3/h7H,6H2,1-5H3,(H2,12,13).
What are the key properties of 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide?
2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide is sourced from PubChem (CID 91599033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).