N'-(3-methylbut-2-en-2-yl)ethanimidamide

C7H14N2 — CID 123584294

IUPACN'-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESCC(C)=C(C)/N=C(\C)N
InChIInChI=1S/C7H14N2/c1-5(2)6(3)9-7(4)8/h1-4H3,(H2,8,9)
InChIKeyFWVRZJCLJRYFGG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds1

About N'-(3-methylbut-2-en-2-yl)ethanimidamide

N'-(3-methylbut-2-en-2-yl)ethanimidamide (PubChem CID 123584294) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-(3-methylbut-2-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-methylbut-2-en-2-yl)ethanimidamide
PubChem CID123584294
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESCC(C)=C(C)/N=C(\C)N
InChIInChI=1S/C7H14N2/c1-5(2)6(3)9-7(4)8/h1-4H3,(H2,8,9)
InChIKeyFWVRZJCLJRYFGG-UHFFFAOYSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
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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Related Compounds

(Z)-3-amino-N',2-dimethylbut-2-enimidamide
CID 90367835
ethane;N'-(3-methylbut-2-en-2-yl)butanimidamide
CID 145418068
3-amino-N',2-dimethylbut-2-enimidamide
CID 147517361
N'-[(Z)-3-aminobut-2-en-2-yl]ethanimidamide
CID 163596358
N'-(1,1-dicyanoprop-1-en-2-yl)ethanimidamide
CID 55281579
N'-(1-amino-2-methylprop-1-enyl)ethanimidamide
CID 143344063
N'-(3-methylbut-2-en-2-yl)butanimidamide
CID 145418069

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The IUPAC name of N'-(3-methylbut-2-en-2-yl)ethanimidamide (CID 123584294) is N'-(3-methylbut-2-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The canonical SMILES for N'-(3-methylbut-2-en-2-yl)ethanimidamide is CC(C)=C(C)/N=C(\C)N.
What is the InChIKey of N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The InChIKey is FWVRZJCLJRYFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5(2)6(3)9-7(4)8/h1-4H3,(H2,8,9).
What are the key properties of N'-(3-methylbut-2-en-2-yl)ethanimidamide?
N'-(3-methylbut-2-en-2-yl)ethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-2-en-2-yl)ethanimidamide is sourced from PubChem (CID 123584294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).