(4-imino-3-methylpent-2-en-2-yl)-methylazanium

C7H15N2+ — CID 147479563

IUPAC(4-imino-3-methylpent-2-en-2-yl)-methylazanium
SMILES[H]/N=C(\C)C(C)=C(C)[NH2+]C
InChIInChI=1S/C7H14N2/c1-5(6(2)8)7(3)9-4/h8-9H,1-4H3/p+1/b7-5?,8-6+
InChIKeyFDJDGOVGQVROQK-LERWJUDQSA-O
MW127.21 g/mol
LogP0.51
Rot. Bonds2

About (4-imino-3-methylpent-2-en-2-yl)-methylazanium

(4-imino-3-methylpent-2-en-2-yl)-methylazanium (PubChem CID 147479563) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is (4-imino-3-methylpent-2-en-2-yl)-methylazanium.

Molecular Properties

Compound Name(4-imino-3-methylpent-2-en-2-yl)-methylazanium
PubChem CID147479563
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name(4-imino-3-methylpent-2-en-2-yl)-methylazanium
SMILES[H]/N=C(\C)C(C)=C(C)[NH2+]C
InChIInChI=1S/C7H14N2/c1-5(6(2)8)7(3)9-4/h8-9H,1-4H3/p+1/b7-5?,8-6+
InChIKeyFDJDGOVGQVROQK-LERWJUDQSA-O
XLogP0.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-imino-3-methylpent-2-en-2-yl)-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 (4-imino-3-methylpent-2-en-2-yl)-methylazanium?
The IUPAC name of (4-imino-3-methylpent-2-en-2-yl)-methylazanium (CID 147479563) is (4-imino-3-methylpent-2-en-2-yl)-methylazanium.
What is the SMILES notation for (4-imino-3-methylpent-2-en-2-yl)-methylazanium?
The canonical SMILES for (4-imino-3-methylpent-2-en-2-yl)-methylazanium is [H]/N=C(\C)C(C)=C(C)[NH2+]C.
What is the InChIKey of (4-imino-3-methylpent-2-en-2-yl)-methylazanium?
The InChIKey is FDJDGOVGQVROQK-LERWJUDQSA-O. The full InChI is InChI=1S/C7H14N2/c1-5(6(2)8)7(3)9-4/h8-9H,1-4H3/p+1/b7-5?,8-6+.
What are the key properties of (4-imino-3-methylpent-2-en-2-yl)-methylazanium?
(4-imino-3-methylpent-2-en-2-yl)-methylazanium has a molecular weight of 127.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imino-3-methylpent-2-en-2-yl)-methylazanium is sourced from PubChem (CID 147479563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).