[(Z)-3-imino-2-methylprop-1-enyl]-methylazanium

C5H11N2+ — CID 145336360

IUPAC[(Z)-3-imino-2-methylprop-1-enyl]-methylazanium
SMILES[H]/N=C/C(C)=C\[NH2+]C
InChIInChI=1S/C5H10N2/c1-5(3-6)4-7-2/h3-4,6-7H,1-2H3/p+1/b5-4-,6-3+
InChIKeyQTVIMMQJFZSVSB-XNYOYJNRSA-O
MW99.16 g/mol
LogP-0.27
Rot. Bonds2

About [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium

[(Z)-3-imino-2-methylprop-1-enyl]-methylazanium (PubChem CID 145336360) has the molecular formula C5H11N2+ and a molecular weight of 99.16 g/mol. Its IUPAC name is [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium.

Molecular Properties

Compound Name[(Z)-3-imino-2-methylprop-1-enyl]-methylazanium
PubChem CID145336360
Molecular FormulaC5H11N2+
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name[(Z)-3-imino-2-methylprop-1-enyl]-methylazanium
SMILES[H]/N=C/C(C)=C\[NH2+]C
InChIInChI=1S/C5H10N2/c1-5(3-6)4-7-2/h3-4,6-7H,1-2H3/p+1/b5-4-,6-3+
InChIKeyQTVIMMQJFZSVSB-XNYOYJNRSA-O
XLogP-0.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium?
The IUPAC name of [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium (CID 145336360) is [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium.
What is the SMILES notation for [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium?
The canonical SMILES for [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium is [H]/N=C/C(C)=C\[NH2+]C.
What is the InChIKey of [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium?
The InChIKey is QTVIMMQJFZSVSB-XNYOYJNRSA-O. The full InChI is InChI=1S/C5H10N2/c1-5(3-6)4-7-2/h3-4,6-7H,1-2H3/p+1/b5-4-,6-3+.
What are the key properties of [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium?
[(Z)-3-imino-2-methylprop-1-enyl]-methylazanium has a molecular weight of 99.16 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-imino-2-methylprop-1-enyl]-methylazanium is sourced from PubChem (CID 145336360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).