N'-ethenyl-2-methylbutanimidamide

C7H14N2 — CID 155258668

IUPACN'-ethenyl-2-methylbutanimidamide
SMILESC=C/N=C(\N)C(C)CC
InChIInChI=1S/C7H14N2/c1-4-6(3)7(8)9-5-2/h5-6H,2,4H2,1,3H3,(H2,8,9)
InChIKeyHPFVQFIDXUPWBW-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.53
Rot. Bonds3

About N'-ethenyl-2-methylbutanimidamide

N'-ethenyl-2-methylbutanimidamide (PubChem CID 155258668) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-ethenyl-2-methylbutanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2-methylbutanimidamide
PubChem CID155258668
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-ethenyl-2-methylbutanimidamide
SMILESC=C/N=C(\N)C(C)CC
InChIInChI=1S/C7H14N2/c1-4-6(3)7(8)9-5-2/h5-6H,2,4H2,1,3H3,(H2,8,9)
InChIKeyHPFVQFIDXUPWBW-UHFFFAOYSA-N
XLogP1.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.53
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'}

Analyze N'-ethenyl-2-methylbutanimidamide 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-2-methylbutanimidamide?
The IUPAC name of N'-ethenyl-2-methylbutanimidamide (CID 155258668) is N'-ethenyl-2-methylbutanimidamide.
What is the SMILES notation for N'-ethenyl-2-methylbutanimidamide?
The canonical SMILES for N'-ethenyl-2-methylbutanimidamide is C=C/N=C(\N)C(C)CC.
What is the InChIKey of N'-ethenyl-2-methylbutanimidamide?
The InChIKey is HPFVQFIDXUPWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6(3)7(8)9-5-2/h5-6H,2,4H2,1,3H3,(H2,8,9).
What are the key properties of N'-ethenyl-2-methylbutanimidamide?
N'-ethenyl-2-methylbutanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-methylbutanimidamide is sourced from PubChem (CID 155258668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).