methylidyne-[(E)-3-methylpent-3-enyl]azanium

C7H12N+ — CID 146920292

IUPACmethylidyne-[(E)-3-methylpent-3-enyl]azanium
SMILESC#[N+]CC/C(C)=C/C
InChIInChI=1S/C7H12N/c1-4-7(2)5-6-8-3/h3-4H,5-6H2,1-2H3/q+1/b7-4+
InChIKeyWKYDEUFXPSLQSC-QPJJXVBHSA-N
MW110.18 g/mol
LogP2.31
Rot. Bonds2

About methylidyne-[(E)-3-methylpent-3-enyl]azanium

methylidyne-[(E)-3-methylpent-3-enyl]azanium (PubChem CID 146920292) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is methylidyne-[(E)-3-methylpent-3-enyl]azanium.

Molecular Properties

Compound Namemethylidyne-[(E)-3-methylpent-3-enyl]azanium
PubChem CID146920292
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Namemethylidyne-[(E)-3-methylpent-3-enyl]azanium
SMILESC#[N+]CC/C(C)=C/C
InChIInChI=1S/C7H12N/c1-4-7(2)5-6-8-3/h3-4H,5-6H2,1-2H3/q+1/b7-4+
InChIKeyWKYDEUFXPSLQSC-QPJJXVBHSA-N
XLogP2.31
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methylidyne-[(E)-3-methylpent-3-enyl]azanium 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 methylidyne-[(E)-3-methylpent-3-enyl]azanium?
The IUPAC name of methylidyne-[(E)-3-methylpent-3-enyl]azanium (CID 146920292) is methylidyne-[(E)-3-methylpent-3-enyl]azanium.
What is the SMILES notation for methylidyne-[(E)-3-methylpent-3-enyl]azanium?
The canonical SMILES for methylidyne-[(E)-3-methylpent-3-enyl]azanium is C#[N+]CC/C(C)=C/C.
What is the InChIKey of methylidyne-[(E)-3-methylpent-3-enyl]azanium?
The InChIKey is WKYDEUFXPSLQSC-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H12N/c1-4-7(2)5-6-8-3/h3-4H,5-6H2,1-2H3/q+1/b7-4+.
What are the key properties of methylidyne-[(E)-3-methylpent-3-enyl]azanium?
methylidyne-[(E)-3-methylpent-3-enyl]azanium has a molecular weight of 110.18 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[(E)-3-methylpent-3-enyl]azanium is sourced from PubChem (CID 146920292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).