[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium

C7H15N2+ — CID 153364363

IUPAC[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium
SMILES[H]/N=C/C(=C\[NH2+]C)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(4-8)5-9-3/h4-6,8-9H,1-3H3/p+1/b7-5+,8-4+
InChIKeyZGMZDUWNJFJZAW-JBVHCYJISA-O
MW127.21 g/mol
LogP0.37
Rot. Bonds3

About [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium

[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium (PubChem CID 153364363) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium.

Molecular Properties

Compound Name[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium
PubChem CID153364363
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium
SMILES[H]/N=C/C(=C\[NH2+]C)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(4-8)5-9-3/h4-6,8-9H,1-3H3/p+1/b7-5+,8-4+
InChIKeyZGMZDUWNJFJZAW-JBVHCYJISA-O
XLogP0.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium 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 [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium?
The IUPAC name of [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium (CID 153364363) is [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium.
What is the SMILES notation for [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium?
The canonical SMILES for [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium is [H]/N=C/C(=C\[NH2+]C)C(C)C.
What is the InChIKey of [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium?
The InChIKey is ZGMZDUWNJFJZAW-JBVHCYJISA-O. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(4-8)5-9-3/h4-6,8-9H,1-3H3/p+1/b7-5+,8-4+.
What are the key properties of [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium?
[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium has a molecular weight of 127.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium is sourced from PubChem (CID 153364363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).