3-methylpent-3-en-2-imine

C6H11N — CID 15835473

IUPAC3-methylpent-3-en-2-imine
SMILES[H]/N=C(\C)C(C)=CC
InChIInChI=1S/C6H11N/c1-4-5(2)6(3)7/h4,7H,1-3H3/b5-4?,7-6+
InChIKeyWRRNBJQSLJQHEP-VFABXPAXSA-N
MW97.16 g/mol
LogP1.99
Rot. Bonds1

About 3-methylpent-3-en-2-imine

3-methylpent-3-en-2-imine (PubChem CID 15835473) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-methylpent-3-en-2-imine.

Molecular Properties

Compound Name3-methylpent-3-en-2-imine
PubChem CID15835473
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-methylpent-3-en-2-imine
SMILES[H]/N=C(\C)C(C)=CC
InChIInChI=1S/C6H11N/c1-4-5(2)6(3)7/h4,7H,1-3H3/b5-4?,7-6+
InChIKeyWRRNBJQSLJQHEP-VFABXPAXSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methylpent-3-en-2-imine 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 3-methylpent-3-en-2-imine?
The IUPAC name of 3-methylpent-3-en-2-imine (CID 15835473) is 3-methylpent-3-en-2-imine.
What is the SMILES notation for 3-methylpent-3-en-2-imine?
The canonical SMILES for 3-methylpent-3-en-2-imine is [H]/N=C(\C)C(C)=CC.
What is the InChIKey of 3-methylpent-3-en-2-imine?
The InChIKey is WRRNBJQSLJQHEP-VFABXPAXSA-N. The full InChI is InChI=1S/C6H11N/c1-4-5(2)6(3)7/h4,7H,1-3H3/b5-4?,7-6+.
What are the key properties of 3-methylpent-3-en-2-imine?
3-methylpent-3-en-2-imine has a molecular weight of 97.16 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-3-en-2-imine is sourced from PubChem (CID 15835473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).