N'-ethenyl-3-methylbutanimidamide

C7H14N2 — CID 90960245

IUPACN'-ethenyl-3-methylbutanimidamide
SMILESC=C/N=C(/N)CC(C)C
InChIInChI=1S/C7H14N2/c1-4-9-7(8)5-6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9)
InChIKeyXRROENHQIGAMBP-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.53
Rot. Bonds3

About N'-ethenyl-3-methylbutanimidamide

N'-ethenyl-3-methylbutanimidamide (PubChem CID 90960245) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-ethenyl-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-ethenyl-3-methylbutanimidamide
PubChem CID90960245
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-ethenyl-3-methylbutanimidamide
SMILESC=C/N=C(/N)CC(C)C
InChIInChI=1S/C7H14N2/c1-4-9-7(8)5-6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9)
InChIKeyXRROENHQIGAMBP-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-3-methylbutanimidamide?
The IUPAC name of N'-ethenyl-3-methylbutanimidamide (CID 90960245) is N'-ethenyl-3-methylbutanimidamide.
What is the SMILES notation for N'-ethenyl-3-methylbutanimidamide?
The canonical SMILES for N'-ethenyl-3-methylbutanimidamide is C=C/N=C(/N)CC(C)C.
What is the InChIKey of N'-ethenyl-3-methylbutanimidamide?
The InChIKey is XRROENHQIGAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-9-7(8)5-6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9).
What are the key properties of N'-ethenyl-3-methylbutanimidamide?
N'-ethenyl-3-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-3-methylbutanimidamide is sourced from PubChem (CID 90960245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).